 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer07_STD_LCPBE_augccpVDZ.in
 Output=31_naproxen_conformer07_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-75344.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     75345.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=31_naproxen_conformer07_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=023000000
 0,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=230000000,108=230000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:28:41 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "31_naproxen_conformer07_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.647466000000     -0.507821000000     -0.190768000000
  C                                                -1.077854000000      0.848890000000     -0.283737000000
  C                                                 0.729812000000     -0.810631000000     -0.325382000000
  C                                                 1.666014000000      0.171296000000     -0.544574000000
  C                                                 1.224426000000      1.518888000000     -0.634141000000
  C                                                -0.095519000000      1.847305000000     -0.510964000000
  C                                                -1.620346000000     -1.504235000000      0.030174000000
  H                                                 1.028417000000     -1.849396000000     -0.262480000000
  H                                                 1.958991000000      2.296811000000     -0.804780000000
  H                                                -0.409397000000      2.880973000000     -0.586908000000
  C                                                 3.149491000000     -0.109147000000     -0.638141000000
  C                                                 3.513374000000     -1.523377000000     -1.111890000000
  C                                                 3.892002000000      0.146002000000      0.683653000000
  H                                                 3.589494000000      0.601618000000     -1.339688000000
  H                                                 3.036271000000     -1.735553000000     -2.068831000000
  H                                                 3.199758000000     -2.284180000000     -0.395852000000
  H                                                 4.592748000000     -1.602696000000     -1.229908000000
  O                                                 5.062060000000      0.400852000000      0.731679000000
  O                                                 3.167488000000      0.013457000000      1.815440000000
  H                                                 2.235282000000     -0.131723000000      1.586956000000
  C                                                -2.950314000000     -1.190901000000      0.157052000000
  C                                                -3.370558000000      0.155926000000      0.065064000000
  C                                                -2.444381000000      1.152719000000     -0.152345000000
  O                                                -4.667931000000      0.545168000000      0.179928000000
  C                                                -5.662349000000     -0.440795000000      0.404455000000
  H                                                -1.305354000000     -2.538205000000      0.101013000000
  H                                                -3.668320000000     -1.978990000000      0.326462000000
  H                                                -2.783917000000      2.177944000000     -0.220901000000
  H                                                -5.493272000000     -0.973311000000      1.344574000000
  H                                                -5.705913000000     -1.160181000000     -0.418101000000
  H                                                -6.605720000000      0.096347000000      0.461347000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Aug 16 21:28:42 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.647466   -0.507821   -0.190768
      2          6           0       -1.077854    0.848890   -0.283737
      3          6           0        0.729812   -0.810631   -0.325382
      4          6           0        1.666014    0.171296   -0.544574
      5          6           0        1.224426    1.518888   -0.634141
      6          6           0       -0.095519    1.847305   -0.510964
      7          6           0       -1.620346   -1.504235    0.030174
      8          1           0        1.028417   -1.849396   -0.262480
      9          1           0        1.958991    2.296811   -0.804780
     10          1           0       -0.409397    2.880973   -0.586908
     11          6           0        3.149491   -0.109147   -0.638141
     12          6           0        3.513374   -1.523377   -1.111890
     13          6           0        3.892002    0.146002    0.683653
     14          1           0        3.589494    0.601618   -1.339688
     15          1           0        3.036271   -1.735553   -2.068831
     16          1           0        3.199758   -2.284180   -0.395852
     17          1           0        4.592748   -1.602696   -1.229908
     18          8           0        5.062060    0.400852    0.731679
     19          8           0        3.167488    0.013457    1.815440
     20          1           0        2.235282   -0.131723    1.586956
     21          6           0       -2.950314   -1.190901    0.157052
     22          6           0       -3.370558    0.155926    0.065064
     23          6           0       -2.444381    1.152719   -0.152345
     24          8           0       -4.667931    0.545168    0.179928
     25          6           0       -5.662349   -0.440795    0.404455
     26          1           0       -1.305354   -2.538205    0.101013
     27          1           0       -3.668320   -1.978990    0.326462
     28          1           0       -2.783917    2.177944   -0.220901
     29          1           0       -5.493272   -0.973311    1.344574
     30          1           0       -5.705913   -1.160181   -0.418101
     31          1           0       -6.605720    0.096347    0.461347
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.426374   0.000000
     3  C    1.416584   2.454262   0.000000
     4  C    2.436918   2.838306   1.374300   0.000000
     5  C    2.794299   2.423257   2.401382   1.420924   0.000000
     6  C    2.440039   1.418960   2.789307   2.431694   1.365754
     7  C    1.410018   2.435166   2.476035   3.733350   4.203964
     8  H    2.147918   3.423095   1.082661   2.137593   3.394391
     9  H    3.877704   3.404466   3.375929   2.161332   1.083452
    10  H    3.420165   2.160581   3.872226   3.413425   2.127648
    11  C    3.843952   4.349009   2.538650   1.512649   2.521188
    12  C    4.380914   5.233819   2.979063   2.570312   3.837044
    13  C    4.668926   5.111689   3.454380   2.542480   3.276791
    14  H    4.527991   4.791692   3.346796   2.125361   2.633007
    15  H    4.313278   5.176092   3.035597   2.799471   3.991554
    16  H    4.242481   5.303458   2.876968   2.898940   4.292091
    17  H    5.453293   6.249899   4.045715   3.490344   4.630855
    18  O    5.854510   6.239419   4.620978   3.635195   4.224086
    19  O    4.341713   4.809098   3.347313   2.801607   3.470196
    20  H    3.407637   3.929117   2.526736   2.226950   2.946119
    21  C    2.427074   2.803774   3.731042   4.863984   5.039583
    22  C    2.814470   2.420403   4.230805   5.073357   4.843597
    23  C    2.446993   1.406048   3.736333   4.244100   3.718380
    24  O    4.172570   3.632614   5.588306   6.386199   6.027496
    25  C    5.050528   4.811911   6.444312   7.414865   7.235103
    26  H    2.154162   3.416460   2.703373   4.072739   4.837380
    27  H    3.399621   3.883267   4.597122   5.817005   6.090720
    28  H    3.432006   2.163558   4.613977   4.892166   4.083128
    29  H    5.104487   5.046556   6.445308   7.492288   7.433292
    30  H    5.105403   5.047113   6.445878   7.492272   7.433282
    31  H    6.024206   5.628390   7.433141   8.333011   8.033362
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.721659   0.000000
     8  H    3.871766   2.687141   0.000000
     9  H    2.123534   5.287415   4.283817   0.000000
    10  H    1.082939   4.590995   4.954690   2.449076   0.000000
    11  C    3.791302   5.014405   2.769213   2.689553   4.648562
    12  C    4.974607   5.259254   2.646280   4.135730   5.921321
    13  C    4.496873   5.791053   3.616200   3.252375   5.253230
    14  H    3.977165   5.783906   3.704992   2.412125   4.664040
    15  H    5.007188   5.113063   2.703210   4.360999   5.948196
    16  H    5.285950   4.901348   2.218456   4.763633   6.304071
    17  H    5.865086   6.340350   3.701518   4.724782   6.748199
    18  O    5.498819   6.983983   4.724642   3.947709   6.150326
    19  O    4.407082   5.330471   3.516191   3.679636   5.175715
    20  H    3.708160   4.378724   2.797738   3.419724   4.560301
    21  C    4.222179   1.372258   4.054618   6.098404   4.856943
    22  C    3.730744   2.412591   4.845573   5.808968   4.076693
    23  C    2.475522   2.787786   4.591857   4.596118   2.704971
    24  O    4.804149   3.675630   6.195001   6.924883   4.917228
    25  C    6.087938   4.196282   6.869884   8.187891   6.293683
    26  H    4.590307   1.083205   2.460299   5.903710   5.535654
    27  H    5.301577   2.123058   4.735292   7.157431   5.922336
    28  H    2.724141   3.869803   5.545727   4.780190   2.503309
    29  H    6.366682   4.124207   6.773668   8.417223   6.665727
    30  H    6.366327   4.124461   6.771295   8.417308   6.664271
    31  H    6.811311   5.253735   7.911377   8.933051   6.873674
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.535218   0.000000
    13  C    1.537388   2.480758   0.000000
    14  H    1.091310   2.138525   2.095950   0.000000
    15  H    2.169076   1.090129   3.442193   2.509995   0.000000
    16  H    2.189064   1.090819   2.747784   3.061136   1.768213
    17  H    2.159599   1.088700   2.685276   2.424370   1.773151
    18  O    2.407161   3.082180   1.198453   2.549376   4.063361
    19  O    2.456708   3.324268   1.350345   3.237106   4.261903
    20  H    2.405690   3.294539   1.907304   3.307102   4.071687
    21  C    6.245810   6.595454   6.991560   6.944238   6.410179
    22  C    6.563216   7.182882   7.288863   7.114372   7.012750
    23  C    5.754972   6.601292   6.470094   6.174232   6.484796
    24  O    7.887297   8.537062   8.584027   8.396278   8.343461
    25  C    8.879500   9.362968   9.576424   9.472342   9.135619
    26  H    5.127603   5.071602   5.878516   5.991131   4.919571
    27  H    7.135077   7.338472   7.861402   7.881082   7.123779
    28  H    6.372614   7.358635   7.036683   6.660094   7.252923
    29  H    8.909281   9.351816   9.474864   9.601161   9.218755
    30  H    8.920273   9.252487   9.748843   9.505675   8.915253
    31  H    9.819126  10.367962  10.500193  10.365395  10.135366
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.760821   0.000000
    18  O    3.456717   2.842935   0.000000
    19  O    3.189042   3.730611   2.216758   0.000000
    20  H    3.081365   3.956783   3.000968   0.970716   0.000000
    21  C    6.270913   7.680561   8.189140   6.451994   5.482416
    22  C    7.023931   8.257357   8.462471   6.769798   5.815870
    23  C    6.612706   7.633783   7.595621   6.055012   5.155017
    24  O    8.380767   9.610470   9.746691   8.021933   7.077588
    25  C    9.087106  10.449314  10.762360   8.953393   7.991646
    26  H    4.539542   6.118344   7.041289   5.427389   4.531588
    27  H    6.912697   8.414816   9.058001   7.274282   6.312983
    28  H    7.466293   8.350241   8.100915   6.652136   5.813370
    29  H    8.961932  10.428417  10.662035   8.729501   7.778018
    30  H    8.976349  10.340081  10.941118   9.225149   8.254729
    31  H   10.126653  11.452195  11.674883   9.866916   8.915286
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.413863   0.000000
    23  C    2.417488   1.377921   0.000000
    24  O    2.442267   1.359367   2.328883   0.000000
    25  C    2.824713   2.392398   3.633818   1.418239   0.000000
    26  H    2.127031   3.394805   3.870981   4.562931   4.845060
    27  H    1.079498   2.171372   3.396304   2.718836   2.519579
    28  H    3.394061   2.124731   1.082160   2.525100   3.941349
    29  H    2.814994   2.723644   4.007057   2.084075   1.093611
    30  H    2.815150   2.723870   4.007209   2.084049   1.093624
    31  H    3.887364   3.259887   4.336967   2.008896   1.087064
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.438679   0.000000
    28  H    4.952963   4.285076   0.000000
    29  H    4.640474   2.319136   4.440915   0.000000
    30  H    4.640404   2.318751   4.440724   1.785262   0.000000
    31  H    5.929973   3.599102   4.405075   1.778145   1.778186
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.58D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.647466   -0.507821   -0.190768
      2          6           0       -1.077854    0.848890   -0.283737
      3          6           0        0.729812   -0.810631   -0.325382
      4          6           0        1.666014    0.171296   -0.544574
      5          6           0        1.224426    1.518888   -0.634141
      6          6           0       -0.095519    1.847305   -0.510964
      7          6           0       -1.620346   -1.504235    0.030174
      8          1           0        1.028417   -1.849396   -0.262480
      9          1           0        1.958991    2.296811   -0.804780
     10          1           0       -0.409397    2.880973   -0.586908
     11          6           0        3.149491   -0.109147   -0.638141
     12          6           0        3.513374   -1.523377   -1.111890
     13          6           0        3.892002    0.146002    0.683653
     14          1           0        3.589494    0.601618   -1.339688
     15          1           0        3.036271   -1.735553   -2.068831
     16          1           0        3.199758   -2.284180   -0.395852
     17          1           0        4.592748   -1.602696   -1.229908
     18          8           0        5.062060    0.400852    0.731679
     19          8           0        3.167488    0.013457    1.815440
     20          1           0        2.235282   -0.131723    1.586956
     21          6           0       -2.950314   -1.190901    0.157052
     22          6           0       -3.370558    0.155926    0.065064
     23          6           0       -2.444381    1.152719   -0.152345
     24          8           0       -4.667931    0.545168    0.179928
     25          6           0       -5.662349   -0.440795    0.404455
     26          1           0       -1.305354   -2.538205    0.101013
     27          1           0       -3.668320   -1.978990    0.326462
     28          1           0       -2.783917    2.177944   -0.220901
     29          1           0       -5.493272   -0.973311    1.344574
     30          1           0       -5.705913   -1.160181   -0.418101
     31          1           0       -6.605720    0.096347    0.461347
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4435720           0.2033668           0.1943488
 Leave Link  202 at Mon Aug 16 21:28:42 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1134.2048311163 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:28:43 2021, MaxMem=  5637144576 cpu:              11.6 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.12D-06  NBF=   517
 NBsUse=   514 1.00D-06 EigRej=  8.39D-07 NBFU=   514
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Mon Aug 16 21:28:44 2021, MaxMem=  5637144576 cpu:               5.8 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:28:45 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer07_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:28:45 2021, MaxMem=  5637144576 cpu:               6.5 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636527787 LenY=  5636223635
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -765.485255887450    
 DIIS: error= 2.19D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -765.485255887450     IErMin= 1 ErrMin= 2.19D-03
 ErrMax= 2.19D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-02 BMatP= 1.76D-02
 IDIUse=3 WtCom= 9.78D-01 WtEn= 2.19D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.283 Goal=   None    Shift=    0.000
 GapD=    0.283 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.43D-02 MaxDP=6.42D+00              OVMax= 1.72D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.45D-02    CP:  1.40D+00
 E= -765.499048997620     Delta-E=       -0.013793110169 Rises=F Damp=F
 DIIS: error= 1.60D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -765.499048997620     IErMin= 2 ErrMin= 1.60D-03
 ErrMax= 1.60D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.88D-03 BMatP= 1.76D-02
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.60D-02
 Coeff-Com:  0.222D+00 0.778D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.219D+00 0.781D+00
 Gap=     0.287 Goal=   None    Shift=    0.000
 RMSDP=8.44D-03 MaxDP=8.40D-01 DE=-1.38D-02 OVMax= 1.39D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.09D-03    CP:  1.46D+00  1.12D+00
 E= -765.499708784773     Delta-E=       -0.000659787153 Rises=F Damp=F
 DIIS: error= 1.31D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -765.499708784773     IErMin= 3 ErrMin= 1.31D-03
 ErrMax= 1.31D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.02D-03 BMatP= 3.88D-03
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.31D-02
 Coeff-Com: -0.238D-01 0.472D+00 0.552D+00
 Coeff-En:   0.000D+00 0.438D+00 0.562D+00
 Coeff:     -0.234D-01 0.472D+00 0.552D+00
 Gap=     0.284 Goal=   None    Shift=    0.000
 RMSDP=3.23D-03 MaxDP=3.23D-01 DE=-6.60D-04 OVMax= 8.07D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.08D-04    CP:  1.48D+00  1.17D+00  1.28D+00
 E= -765.501821588184     Delta-E=       -0.002112803412 Rises=F Damp=F
 DIIS: error= 1.44D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -765.501821588184     IErMin= 4 ErrMin= 1.44D-04
 ErrMax= 1.44D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.48D-05 BMatP= 3.02D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.44D-03
 Coeff-Com: -0.140D-01 0.153D+00 0.217D+00 0.644D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.140D-01 0.153D+00 0.217D+00 0.644D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=4.75D-04 MaxDP=5.12D-02 DE=-2.11D-03 OVMax= 2.78D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.28D-04    CP:  1.48D+00  1.17D+00  1.36D+00  1.06D+00
 E= -765.501850824260     Delta-E=       -0.000029236075 Rises=F Damp=F
 DIIS: error= 8.84D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -765.501850824260     IErMin= 5 ErrMin= 8.84D-05
 ErrMax= 8.84D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.49D-05 BMatP= 4.48D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.252D-02-0.193D-01 0.380D-02 0.383D+00 0.635D+00
 Coeff:     -0.252D-02-0.193D-01 0.380D-02 0.383D+00 0.635D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=2.32D-04 MaxDP=2.35D-02 DE=-2.92D-05 OVMax= 9.53D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.87D-05    CP:  1.48D+00  1.18D+00  1.41D+00  1.12D+00  1.38D+00
 E= -765.501862598589     Delta-E=       -0.000011774330 Rises=F Damp=F
 DIIS: error= 1.77D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -765.501862598589     IErMin= 6 ErrMin= 1.77D-05
 ErrMax= 1.77D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.36D-07 BMatP= 1.49D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.165D-03-0.217D-01-0.173D-01 0.107D+00 0.265D+00 0.667D+00
 Coeff:      0.165D-03-0.217D-01-0.173D-01 0.107D+00 0.265D+00 0.667D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=3.46D-05 MaxDP=1.86D-03 DE=-1.18D-05 OVMax= 2.67D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.69D-05    CP:  1.48D+00  1.18D+00  1.42D+00  1.14D+00  1.43D+00
                    CP:  1.27D+00
 E= -765.501863417572     Delta-E=       -0.000000818982 Rises=F Damp=F
 DIIS: error= 6.54D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -765.501863417572     IErMin= 7 ErrMin= 6.54D-06
 ErrMax= 6.54D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.62D-08 BMatP= 7.36D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.455D-03-0.582D-02-0.727D-02-0.114D-01 0.113D-01 0.254D+00
 Coeff-Com:  0.759D+00
 Coeff:      0.455D-03-0.582D-02-0.727D-02-0.114D-01 0.113D-01 0.254D+00
 Coeff:      0.759D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=1.47D-05 MaxDP=1.19D-03 DE=-8.19D-07 OVMax= 1.42D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.31D-06    CP:  1.48D+00  1.18D+00  1.42D+00  1.14D+00  1.48D+00
                    CP:  1.34D+00  1.23D+00
 E= -765.501863551897     Delta-E=       -0.000000134325 Rises=F Damp=F
 DIIS: error= 2.40D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -765.501863551897     IErMin= 8 ErrMin= 2.40D-06
 ErrMax= 2.40D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-08 BMatP= 8.62D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.135D-03 0.441D-03-0.575D-03-0.164D-01-0.281D-01 0.194D-01
 Coeff-Com:  0.286D+00 0.739D+00
 Coeff:      0.135D-03 0.441D-03-0.575D-03-0.164D-01-0.281D-01 0.194D-01
 Coeff:      0.286D+00 0.739D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=6.75D-06 MaxDP=5.82D-04 DE=-1.34D-07 OVMax= 6.56D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.34D-06    CP:  1.48D+00  1.18D+00  1.42D+00  1.14D+00  1.49D+00
                    CP:  1.37D+00  1.29D+00  1.10D+00
 E= -765.501863573355     Delta-E=       -0.000000021458 Rises=F Damp=F
 DIIS: error= 1.23D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -765.501863573355     IErMin= 9 ErrMin= 1.23D-06
 ErrMax= 1.23D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.43D-09 BMatP= 1.21D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.357D-04 0.132D-02 0.121D-02-0.417D-02-0.141D-01-0.446D-01
 Coeff-Com: -0.419D-01 0.309D+00 0.794D+00
 Coeff:     -0.357D-04 0.132D-02 0.121D-02-0.417D-02-0.141D-01-0.446D-01
 Coeff:     -0.419D-01 0.309D+00 0.794D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=2.73D-06 MaxDP=2.16D-04 DE=-2.15D-08 OVMax= 3.49D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.11D-06    CP:  1.48D+00  1.18D+00  1.42D+00  1.14D+00  1.49D+00
                    CP:  1.38D+00  1.31D+00  1.13D+00  1.04D+00
 E= -765.501863578694     Delta-E=       -0.000000005339 Rises=F Damp=F
 DIIS: error= 3.38D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -765.501863578694     IErMin=10 ErrMin= 3.38D-07
 ErrMax= 3.38D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.33D-10 BMatP= 2.43D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.309D-04 0.411D-03 0.489D-03 0.492D-03-0.149D-02-0.176D-01
 Coeff-Com: -0.467D-01 0.142D-01 0.257D+00 0.794D+00
 Coeff:     -0.309D-04 0.411D-03 0.489D-03 0.492D-03-0.149D-02-0.176D-01
 Coeff:     -0.467D-01 0.142D-01 0.257D+00 0.794D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=5.29D-07 MaxDP=3.12D-05 DE=-5.34D-09 OVMax= 1.32D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.87D-07    CP:  1.48D+00  1.18D+00  1.42D+00  1.14D+00  1.49D+00
                    CP:  1.37D+00  1.31D+00  1.13D+00  1.01D+00  1.16D+00
 E= -765.501863579213     Delta-E=       -0.000000000519 Rises=F Damp=F
 DIIS: error= 1.59D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -765.501863579213     IErMin=11 ErrMin= 1.59D-07
 ErrMax= 1.59D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.71D-11 BMatP= 2.33D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.631D-05-0.771D-04-0.247D-04 0.111D-02 0.231D-02 0.798D-03
 Coeff-Com: -0.129D-01-0.556D-01-0.390D-01 0.353D+00 0.751D+00
 Coeff:     -0.631D-05-0.771D-04-0.247D-04 0.111D-02 0.231D-02 0.798D-03
 Coeff:     -0.129D-01-0.556D-01-0.390D-01 0.353D+00 0.751D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=4.51D-07 MaxDP=4.36D-05 DE=-5.19D-10 OVMax= 5.44D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.87D-07    CP:  1.48D+00  1.18D+00  1.42D+00  1.14D+00  1.49D+00
                    CP:  1.37D+00  1.31D+00  1.12D+00  1.01D+00  1.25D+00
                    CP:  1.18D+00
 E= -765.501863579207     Delta-E=        0.000000000006 Rises=F Damp=F
 DIIS: error= 6.76D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -765.501863579213     IErMin=12 ErrMin= 6.76D-08
 ErrMax= 6.76D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.07D-12 BMatP= 5.71D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.143D-05-0.722D-04-0.660D-04 0.317D-03 0.974D-03 0.216D-02
 Coeff-Com:  0.112D-02-0.197D-01-0.401D-01 0.284D-01 0.254D+00 0.773D+00
 Coeff:      0.143D-05-0.722D-04-0.660D-04 0.317D-03 0.974D-03 0.216D-02
 Coeff:      0.112D-02-0.197D-01-0.401D-01 0.284D-01 0.254D+00 0.773D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=1.59D-07 MaxDP=1.24D-05 DE= 6.14D-12 OVMax= 1.80D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.18D-08    CP:  1.48D+00  1.18D+00  1.42D+00  1.14D+00  1.49D+00
                    CP:  1.37D+00  1.30D+00  1.11D+00  9.98D-01  1.27D+00
                    CP:  1.22D+00  1.08D+00
 E= -765.501863578993     Delta-E=        0.000000000215 Rises=F Damp=F
 DIIS: error= 3.29D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -765.501863579213     IErMin=13 ErrMin= 3.29D-08
 ErrMax= 3.29D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-12 BMatP= 5.07D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.162D-05-0.195D-04-0.257D-04-0.425D-04 0.609D-04 0.783D-03
 Coeff-Com:  0.248D-02 0.262D-03-0.112D-01-0.429D-01-0.136D-01 0.353D+00
 Coeff-Com:  0.711D+00
 Coeff:      0.162D-05-0.195D-04-0.257D-04-0.425D-04 0.609D-04 0.783D-03
 Coeff:      0.248D-02 0.262D-03-0.112D-01-0.429D-01-0.136D-01 0.353D+00
 Coeff:      0.711D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=4.65D-08 MaxDP=3.21D-06 DE= 2.15D-10 OVMax= 8.19D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  2.35D-08    CP:  1.48D+00  1.18D+00  1.42D+00  1.14D+00  1.49D+00
                    CP:  1.37D+00  1.30D+00  1.11D+00  9.95D-01  1.26D+00
                    CP:  1.26D+00  1.14D+00  9.60D-01
 E= -765.501863578920     Delta-E=        0.000000000073 Rises=F Damp=F
 DIIS: error= 9.07D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=11 EnMin= -765.501863579213     IErMin=14 ErrMin= 9.07D-09
 ErrMax= 9.07D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-13 BMatP= 1.23D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.226D-06 0.579D-05 0.313D-05-0.622D-04-0.133D-03-0.114D-03
 Coeff-Com:  0.552D-03 0.306D-02 0.281D-02-0.169D-01-0.449D-01-0.120D-01
 Coeff-Com:  0.185D+00 0.883D+00
 Coeff:      0.226D-06 0.579D-05 0.313D-05-0.622D-04-0.133D-03-0.114D-03
 Coeff:      0.552D-03 0.306D-02 0.281D-02-0.169D-01-0.449D-01-0.120D-01
 Coeff:      0.185D+00 0.883D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=1.60D-08 MaxDP=1.23D-06 DE= 7.28D-11 OVMax= 4.30D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  9.60D-09    CP:  1.48D+00  1.18D+00  1.42D+00  1.14D+00  1.49D+00
                    CP:  1.37D+00  1.30D+00  1.11D+00  9.94D-01  1.26D+00
                    CP:  1.26D+00  1.16D+00  1.03D+00  9.75D-01
 E= -765.501863578999     Delta-E=       -0.000000000079 Rises=F Damp=F
 DIIS: error= 4.26D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=11 EnMin= -765.501863579213     IErMin=15 ErrMin= 4.26D-09
 ErrMax= 4.26D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-14 BMatP= 1.02D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.131D-06 0.404D-05 0.417D-05-0.113D-04-0.449D-04-0.128D-03
 Coeff-Com: -0.166D-03 0.728D-03 0.219D-02 0.171D-02-0.100D-01-0.520D-01
 Coeff-Com: -0.568D-01 0.248D+00 0.867D+00
 Coeff:     -0.131D-06 0.404D-05 0.417D-05-0.113D-04-0.449D-04-0.128D-03
 Coeff:     -0.166D-03 0.728D-03 0.219D-02 0.171D-02-0.100D-01-0.520D-01
 Coeff:     -0.568D-01 0.248D+00 0.867D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=8.70D-09 MaxDP=9.93D-07 DE=-7.91D-11 OVMax= 2.42D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -765.501863579     A.U. after   15 cycles
            NFock= 15  Conv=0.87D-08     -V/T= 2.0045
 KE= 7.620986254448D+02 PE=-4.054528233221D+03 EE= 1.392722913081D+03
 Leave Link  502 at Mon Aug 16 21:42:01 2021, MaxMem=  5637144576 cpu:            6348.1 elap:             795.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   514
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    514 NOA=    61 NOB=    61 NVA=   453 NVB=   453

 **** Warning!!: The largest alpha MO coefficient is  0.11708998D+03

 Leave Link  801 at Mon Aug 16 21:42:01 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.61D-13 8.33D-09 XBig12= 1.00D+00 5.03D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.61D-13 8.33D-09 XBig12= 2.70D-01 1.02D-01.
     11 vectors produced by pass  2 Test12= 4.61D-13 8.33D-09 XBig12= 9.05D-02 1.40D-01.
     11 vectors produced by pass  3 Test12= 4.61D-13 8.33D-09 XBig12= 1.15D-02 4.48D-02.
     11 vectors produced by pass  4 Test12= 4.61D-13 8.33D-09 XBig12= 3.29D-03 1.62D-02.
     11 vectors produced by pass  5 Test12= 4.61D-13 8.33D-09 XBig12= 5.23D-04 5.11D-03.
     11 vectors produced by pass  6 Test12= 4.61D-13 8.33D-09 XBig12= 3.08D-05 1.13D-03.
     11 vectors produced by pass  7 Test12= 4.61D-13 8.33D-09 XBig12= 1.90D-06 2.82D-04.
     11 vectors produced by pass  8 Test12= 4.61D-13 8.33D-09 XBig12= 1.11D-07 5.22D-05.
     11 vectors produced by pass  9 Test12= 4.61D-13 8.33D-09 XBig12= 4.22D-09 9.78D-06.
     11 vectors produced by pass 10 Test12= 4.61D-13 8.33D-09 XBig12= 1.40D-10 1.55D-06.
     11 vectors produced by pass 11 Test12= 4.61D-13 8.33D-09 XBig12= 6.10D-12 4.66D-07.
      7 vectors produced by pass 12 Test12= 4.61D-13 8.33D-09 XBig12= 3.05D-13 9.35D-08.
      5 vectors produced by pass 13 Test12= 4.61D-13 8.33D-09 XBig12= 3.20D-13 4.50D-08.
      2 vectors produced by pass 14 Test12= 4.61D-13 8.33D-09 XBig12= 1.24D-13 1.57D-08.
      1 vectors produced by pass 15 Test12= 4.61D-13 8.33D-09 XBig12= 3.02D-14 1.20D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.11D-14
 Solved reduced A of dimension   147 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.319707D+03
      2  0.141902D+02  0.177896D+03
      3 -0.159805D+02 -0.534954D+01  0.123031D+03
 Isotropic polarizability for W=    0.088559      206.88 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.351748D+03 -0.441695D+02  0.913701D+02
      2   0.166497D+03  0.215881D+02 -0.483309D+02
      3   0.185252D+03  0.225814D+02 -0.430392D+02
      4  -0.594349D+02 -0.119329D+03  0.417590D+02
      5   0.266640D+02  0.459040D+02  0.405436D+02
      6   0.130046D+02 -0.712207D+02 -0.357345D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.110280D+02 -0.294159D+02  0.133076D+02
      2   0.823056D+02  0.172122D+02  0.164772D+02
      3   0.436422D+02  0.542342D+02 -0.213650D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.414492D+01 -0.228898D+02  0.583159D+02
      2   0.647060D+02  0.287545D+02 -0.144708D+03
      3  -0.152654D+02  0.285825D+03 -0.328994D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.104013D+01 -0.799540D+01 -0.885614D+01
      2  -0.799540D+01  0.202014D+01 -0.382191D-01
      3  -0.885614D+01 -0.382191D-01  0.589528D+01
 OR G Eigenvalues:   -10.7700     3.6765    13.9688  Iso=    -2.2918
 Eigenvectors:
   (1)   0.772275   0.483997   0.411507
   (2)  -0.157247   0.773225  -0.614326
   (3)  -0.615520   0.409720   0.673249
 w=    0.088559 a.u., Optical Rotation Beta=     -2.2918 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =     -504.69 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 4.59D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.66D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.68D-14 2.78D-09 XBig12= 1.00D+00 4.35D-01.
     30 vectors produced by pass  1 Test12= 7.68D-14 2.78D-09 XBig12= 9.13D-02 7.83D-02.
     30 vectors produced by pass  2 Test12= 7.68D-14 2.78D-09 XBig12= 1.02D-02 2.67D-02.
     30 vectors produced by pass  3 Test12= 7.68D-14 2.78D-09 XBig12= 1.82D-04 2.47D-03.
     30 vectors produced by pass  4 Test12= 7.68D-14 2.78D-09 XBig12= 7.43D-06 4.03D-04.
     30 vectors produced by pass  5 Test12= 7.68D-14 2.78D-09 XBig12= 2.54D-07 6.08D-05.
     30 vectors produced by pass  6 Test12= 7.68D-14 2.78D-09 XBig12= 5.30D-09 7.55D-06.
     30 vectors produced by pass  7 Test12= 7.68D-14 2.78D-09 XBig12= 8.03D-11 1.17D-06.
     30 vectors produced by pass  8 Test12= 7.68D-14 2.78D-09 XBig12= 1.03D-12 1.10D-07.
     14 vectors produced by pass  9 Test12= 7.68D-14 2.78D-09 XBig12= 4.64D-14 1.59D-08.
      8 vectors produced by pass 10 Test12= 7.68D-14 2.78D-09 XBig12= 2.63D-14 9.56D-09.
      5 vectors produced by pass 11 Test12= 7.68D-14 2.78D-09 XBig12= 1.84D-14 8.10D-09.
      4 vectors produced by pass 12 Test12= 7.68D-14 2.78D-09 XBig12= 2.28D-14 8.56D-09.
      4 vectors produced by pass 13 Test12= 7.68D-14 2.78D-09 XBig12= 4.06D-14 1.23D-08.
      4 vectors produced by pass 14 Test12= 7.68D-14 2.78D-09 XBig12= 6.17D-14 1.36D-08.
      4 vectors produced by pass 15 Test12= 7.68D-14 2.78D-09 XBig12= 4.16D-14 1.39D-08.
      4 vectors produced by pass 16 Test12= 7.68D-14 2.78D-09 XBig12= 1.89D-14 7.30D-09.
      4 vectors produced by pass 17 Test12= 7.68D-14 2.78D-09 XBig12= 1.41D-14 6.22D-09.
      4 vectors produced by pass 18 Test12= 7.68D-14 2.78D-09 XBig12= 4.52D-14 9.99D-09.
      4 vectors produced by pass 19 Test12= 7.68D-14 2.78D-09 XBig12= 2.49D-14 9.49D-09.
      4 vectors produced by pass 20 Test12= 7.68D-14 2.78D-09 XBig12= 3.08D-14 1.14D-08.
      4 vectors produced by pass 21 Test12= 7.68D-14 2.78D-09 XBig12= 3.74D-14 1.01D-08.
      4 vectors produced by pass 22 Test12= 7.68D-14 2.78D-09 XBig12= 1.73D-13 2.12D-08.
      4 vectors produced by pass 23 Test12= 7.68D-14 2.78D-09 XBig12= 4.78D-14 1.11D-08.
      3 vectors produced by pass 24 Test12= 7.68D-14 2.78D-09 XBig12= 1.61D-14 6.24D-09.
      1 vectors produced by pass 25 Test12= 7.68D-14 2.78D-09 XBig12= 9.21D-15 5.07D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   349 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.90D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.90D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.07D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.319707D+03  0.141902D+02 -0.159805D+02
      2   0.141902D+02  0.177896D+03 -0.534954D+01
      3  -0.159805D+02 -0.534954D+01  0.123031D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.110280D+02 -0.294159D+02  0.133076D+02
      2   0.823056D+02  0.172122D+02  0.164772D+02
      3   0.436422D+02  0.542342D+02 -0.213650D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.351748D+03 -0.441695D+02  0.913701D+02
      2   0.166497D+03  0.215881D+02 -0.483309D+02
      3   0.185252D+03  0.225814D+02 -0.430392D+02
      4  -0.594349D+02 -0.119329D+03  0.417590D+02
      5   0.266640D+02  0.459040D+02  0.405436D+02
      6   0.130046D+02 -0.712207D+02 -0.357345D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.434165D+02  0.943260D+01 -0.391930D+01 -0.458063D+02 -0.553198D+01
      2   0.943260D+01  0.505599D+01 -0.177719D+01 -0.553198D+01 -0.577555D+01
      3  -0.391930D+01 -0.177719D+01  0.672518D-01  0.488775D+01  0.993090D+00
                 6             7             8             9            10 
      1   0.488775D+01  0.735178D+00 -0.518650D+00  0.126179D+01 -0.356647D+02
      2   0.993090D+00 -0.518650D+00 -0.159802D+00 -0.100483D+01 -0.789331D+01
      3  -0.362234D+00  0.126179D+01 -0.100483D+01  0.105967D+00  0.311946D+01
                11            12            13            14            15 
      1  -0.789331D+01  0.311946D+01  0.506036D+02  0.688720D+01 -0.564948D+01
      2  -0.105762D+01  0.569406D+00  0.688720D+01  0.763396D+01 -0.170244D+01
      3   0.569406D+00 -0.257348D+00 -0.564948D+01 -0.170244D+01  0.259609D+00
                16            17            18            19            20 
      1  -0.850318D+00  0.322355D+00 -0.473154D+00 -0.500239D+02 -0.103787D+02
      2   0.322355D+00 -0.388289D+00  0.118727D+01 -0.103787D+02 -0.949632D+01
      3  -0.473154D+00  0.118727D+01 -0.260353D+00  0.355450D+01  0.171305D+01
                21            22            23            24            25 
      1   0.355450D+01 -0.198188D+02 -0.217434D+01  0.139041D-01  0.821045D+01
      2   0.171305D+01 -0.217434D+01 -0.543763D+01  0.511982D+00  0.307986D+00
      3  -0.615828D+00  0.139041D-01  0.511982D+00 -0.203535D+01  0.579387D+00
                26            27            28            29            30 
      1   0.307986D+00  0.579387D+00  0.558508D+02  0.506180D+01 -0.481728D+00
      2   0.988355D+00 -0.376656D+01  0.506180D+01  0.450097D+01 -0.701637D+00
      3  -0.376656D+01  0.577443D+00 -0.481728D+00 -0.701637D+00  0.211177D+01
                31            32            33            34            35 
      1   0.780428D+01  0.291516D+01 -0.105410D+00 -0.425416D+01 -0.272332D+00
      2   0.291516D+01  0.153769D+02 -0.282443D+01 -0.272332D+00 -0.285396D+01
      3  -0.105410D+00 -0.282443D+01  0.297420D+00  0.621729D+01  0.112579D+01
                36            37            38            39            40 
      1   0.621729D+01  0.700743D+01 -0.120296D+01 -0.306093D+00  0.837941D+01
      2   0.112579D+01 -0.120296D+01  0.130811D+02 -0.142448D+01  0.818991D+00
      3  -0.140114D+01 -0.306093D+00 -0.142448D+01  0.218653D+01  0.669074D+00
                41            42            43            44            45 
      1   0.818991D+00  0.669074D+00 -0.954602D+00  0.115854D+01  0.451222D+01
      2  -0.837563D+01  0.162497D+01  0.115854D+01 -0.418312D+00  0.223801D+01
      3   0.162497D+01  0.667164D+00  0.451222D+01  0.223801D+01 -0.242299D+01
                46            47            48            49            50 
      1  -0.115838D+02  0.177423D+01  0.156888D+01  0.149140D+01  0.321122D+01
      2   0.177423D+01 -0.928522D+01  0.204929D+01  0.321122D+01  0.345207D+00
      3   0.156888D+01  0.204929D+01 -0.205160D+01 -0.324561D+00  0.332757D+00
                51            52            53            54            55 
      1  -0.324561D+00  0.103340D+01 -0.720814D-01 -0.122610D+01  0.202877D+01
      2   0.332757D+00 -0.720814D-01  0.207055D+01  0.417338D+01 -0.306129D+01
      3   0.154945D+01 -0.122610D+01  0.417338D+01 -0.101955D+01 -0.370242D-01
                56            57            58            59            60 
      1  -0.306129D+01 -0.370242D-01 -0.337107D+01 -0.453002D+01  0.427391D+00
      2   0.532832D+01 -0.238901D+00 -0.453002D+01 -0.227398D+01  0.128407D+00
      3  -0.238901D+00  0.216032D+01  0.427391D+00  0.128407D+00 -0.148086D+01
                61            62            63            64            65 
      1   0.544393D-01  0.406616D+00  0.178947D+00  0.104471D+01 -0.213513D+01
      2   0.406616D+00 -0.134621D+01 -0.411287D+01 -0.213513D+01  0.907779D+00
      3   0.178947D+00 -0.411287D+01  0.501191D+00 -0.164651D+00  0.252346D+00
                66            67            68            69            70 
      1  -0.164651D+00 -0.307036D+01  0.294788D+01  0.113426D+00 -0.471006D+00
      2   0.252346D+00  0.294788D+01 -0.656849D+01 -0.745886D-01  0.191912D+00
      3   0.832742D-01  0.113426D+00 -0.745886D-01 -0.762337D+00 -0.929847D-01
                71            72            73            74            75 
      1   0.191912D+00 -0.929847D-01  0.629014D+01  0.337300D+01 -0.110694D+01
      2   0.403679D+00 -0.985315D-01  0.337300D+01  0.345608D+01 -0.799057D+00
      3  -0.985315D-01 -0.467432D-02 -0.110694D+01 -0.799057D+00  0.773791D+00
                76            77            78            79            80 
      1   0.408789D+01  0.439945D+01 -0.982119D+00 -0.143107D+01 -0.928338D+00
      2   0.439945D+01  0.533591D+01 -0.110102D+01 -0.928338D+00 -0.898171D+00
      3  -0.982119D+00 -0.110102D+01  0.101192D+01 -0.125620D+00  0.580168D+00
                81            82            83            84            85 
      1  -0.125620D+00 -0.100959D+01  0.157077D+01 -0.850291D-01  0.735281D+00
      2   0.580168D+00  0.157077D+01 -0.241873D+01  0.128974D+00 -0.138435D+01
      3  -0.222556D+00 -0.850291D-01  0.128974D+00 -0.206085D+00  0.234849D+00
                86            87            88            89            90 
      1  -0.138435D+01  0.234849D+00 -0.524491D-01 -0.705688D-01  0.125408D+00
      2   0.109341D+02 -0.110453D+01 -0.705688D-01 -0.954242D+00  0.276031D+00
      3  -0.110453D+01  0.111888D+01  0.125408D+00  0.276031D+00 -0.162165D+00
                91            92            93            94            95 
      1  -0.264738D+02 -0.308660D+01 -0.201959D+01 -0.919290D+00 -0.196482D+01
      2  -0.308660D+01 -0.965914D+00 -0.273676D+00 -0.196482D+01  0.816559D+00
      3  -0.201959D+01 -0.273676D+00 -0.300592D+01  0.670344D+00  0.303507D+01
                96            97            98            99           100 
      1   0.670344D+00 -0.929741D+01 -0.640515D+00 -0.605304D+01 -0.700731D+01
      2   0.303507D+01 -0.640515D+00  0.202611D+01 -0.183412D+01  0.152537D+01
      3  -0.564599D+00 -0.605304D+01 -0.183412D+01 -0.482747D+00  0.184902D+01
               101           102           103           104           105 
      1   0.152537D+01  0.184902D+01 -0.167728D+01  0.199854D+01  0.513669D+00
      2   0.167109D+01  0.760056D+00  0.199854D+01 -0.110908D+01 -0.316623D+01
      3   0.760056D+00  0.349626D+01  0.513669D+00 -0.316623D+01  0.115896D+01
               106           107           108           109           110 
      1   0.243399D+01  0.738054D+00  0.227565D+01 -0.360100D+01 -0.131176D+01
      2   0.738054D+00 -0.233478D+01  0.254468D+01 -0.131176D+01 -0.290097D+00
      3   0.227565D+01  0.254468D+01  0.336861D+01 -0.448759D+00 -0.473164D+00
               111           112           113           114           115 
      1  -0.448759D+00 -0.153066D+01  0.882006D+00 -0.554420D-02  0.163138D+02
      2  -0.473164D+00  0.882006D+00 -0.804517D-01 -0.255129D+00  0.668406D+00
      3   0.839520D+00 -0.554420D-02 -0.255129D+00  0.369819D+00  0.655591D+01
               116           117           118           119           120 
      1   0.668406D+00  0.655591D+01  0.399742D+01  0.178000D+01 -0.156964D+01
      2   0.544841D+00  0.470038D+00  0.178000D+01  0.103955D+01 -0.517852D+00
      3   0.470038D+00  0.150195D+00 -0.156964D+01 -0.517852D+00  0.172037D+01
               121           122           123           124           125 
      1   0.626215D+01  0.171861D+01 -0.122726D+01 -0.234563D+01 -0.520951D+00
      2   0.171861D+01  0.255621D+01 -0.195535D+01 -0.520951D+00 -0.201250D+01
      3  -0.122726D+01 -0.195535D+01  0.186931D+01  0.258280D+01  0.160479D+01
               126           127           128           129           130 
      1   0.258280D+01 -0.881493D+00 -0.158203D+00 -0.108479D+01  0.543427D+00
      2   0.160479D+01 -0.158203D+00 -0.110631D+01 -0.103344D+01 -0.242266D+00
      3  -0.346431D+01 -0.108479D+01 -0.103344D+01 -0.269063D+01 -0.948539D-01
               131           132           133           134           135 
      1  -0.242266D+00 -0.948539D-01 -0.174069D+01  0.350266D+00 -0.276085D+00
      2  -0.112984D+01 -0.940718D+00  0.350266D+00 -0.197512D+01 -0.256206D+01
      3  -0.940718D+00 -0.131473D+01 -0.276085D+00 -0.256206D+01 -0.737217D+01
               136           137           138           139           140 
      1  -0.222698D+00 -0.299333D+00  0.383534D+00 -0.140005D+01  0.477560D+00
      2  -0.299333D+00 -0.101926D+01  0.152700D-01  0.477560D+00 -0.441685D+01
      3   0.383534D+00  0.152700D-01 -0.781067D+00  0.856701D-01  0.144731D+01
               141           142           143           144           145 
      1   0.856701D-01  0.144695D+01 -0.778699D+00 -0.259119D+00  0.124243D+02
      2   0.144731D+01 -0.778699D+00  0.302809D+01 -0.145398D+01 -0.324258D+01
      3  -0.168537D+01 -0.259119D+00 -0.145398D+01  0.169056D+01 -0.232619D+01
               146           147           148           149           150 
      1  -0.324258D+01 -0.232619D+01 -0.174491D+01  0.126566D+01  0.124057D+00
      2   0.200380D+01  0.822629D+00  0.126566D+01 -0.551747D+00 -0.473011D-02
      3   0.822629D+00  0.166687D+01  0.124057D+00 -0.473011D-02 -0.131979D+00
               151           152           153           154           155 
      1  -0.138990D+01  0.216418D+00  0.121110D+01  0.192006D+02  0.273264D+01
      2   0.216418D+00  0.409853D-01 -0.547328D+00  0.273264D+01  0.210191D+01
      3   0.121110D+01 -0.547328D+00 -0.978228D+00  0.153594D+01  0.718457D+00
               156           157           158           159           160 
      1   0.153594D+01  0.348459D+01  0.435651D+01  0.219119D+00  0.215257D+01
      2   0.718457D+00  0.435651D+01  0.200504D+01  0.520900D+00  0.567421D+00
      3   0.324421D+01  0.219119D+00  0.520900D+00  0.404097D+00  0.268601D+01
               161           162           163           164           165 
      1   0.567421D+00  0.268601D+01  0.159968D+02  0.556539D+00  0.537725D+01
      2  -0.270172D+00  0.624962D+00  0.556539D+00 -0.531690D+00 -0.288010D+00
      3   0.624962D+00  0.455898D+00  0.537725D+01 -0.288010D+00  0.112027D+01
               166           167           168           169           170 
      1   0.279223D+01 -0.429891D+00  0.477516D+00 -0.252279D+00 -0.651666D+00
      2  -0.429891D+00 -0.323645D+00  0.134899D+01 -0.651666D+00  0.643987D+00
      3   0.477516D+00  0.134899D+01 -0.687788D-01 -0.598415D-02  0.100651D+00
               171           172           173           174           175 
      1  -0.598415D-02 -0.125714D+02  0.959008D-01 -0.310918D+01 -0.144754D+01
      2   0.100651D+00  0.959008D-01 -0.855782D-01  0.204692D+00  0.449773D+00
      3   0.694050D+01 -0.310918D+01  0.204692D+00 -0.337367D+01 -0.439584D+00
               176           177           178           179           180 
      1   0.449773D+00 -0.439584D+00 -0.789063D+01  0.125528D+00 -0.288087D+01
      2  -0.160351D+00  0.747297D+00  0.125528D+00  0.126095D+01 -0.116872D+00
      3   0.747297D+00 -0.614901D+00 -0.288087D+01 -0.116872D+00  0.973140D-01
               181           182           183           184           185 
      1  -0.525001D+01  0.587587D+00 -0.203983D+00 -0.144964D+02 -0.213707D+01
      2   0.587587D+00 -0.101249D+02 -0.111045D-01 -0.213707D+01  0.426820D+01
      3  -0.203983D+00 -0.111045D-01 -0.226614D+01  0.116492D+01 -0.367750D+00
               186           187           188           189           190 
      1   0.116492D+01  0.107423D+01 -0.637851D+00 -0.415358D+01 -0.365913D+02
      2  -0.367750D+00 -0.637851D+00  0.125005D+00 -0.285405D+01 -0.547289D+01
      3  -0.140567D+01 -0.415358D+01 -0.285405D+01  0.186114D+01  0.283901D+01
               191           192           193           194           195 
      1  -0.547289D+01  0.283901D+01 -0.226684D+01 -0.332072D+01 -0.514679D+00
      2  -0.913159D+01  0.996554D+00 -0.332072D+01 -0.111572D+02  0.910755D+00
      3   0.996554D+00 -0.377314D+01 -0.514679D+00  0.910755D+00  0.517037D+00
               196           197           198           199           200 
      1   0.289424D+01  0.195393D+00 -0.724536D+01  0.387876D+02  0.999523D+01
      2   0.195393D+00  0.219250D+01 -0.611013D+00  0.999523D+01  0.734990D+01
      3  -0.724536D+01 -0.611013D+00  0.183423D+01 -0.415517D+01 -0.718279D+00
               201           202           203           204           205 
      1  -0.415517D+01  0.169847D+02  0.403287D+01 -0.186711D+01 -0.654967D+01
      2  -0.718279D+00  0.403287D+01  0.538120D+01 -0.125764D+00 -0.108716D+01
      3   0.640580D+00 -0.186711D+01 -0.125764D+00  0.237285D+01  0.263092D+00
               206           207           208           209           210 
      1  -0.108716D+01  0.263092D+00  0.623481D+01  0.357799D+01 -0.125754D+01
      2  -0.496674D+00  0.467702D+01  0.357799D+01  0.365186D+01 -0.738450D+00
      3   0.467702D+01 -0.128266D+01 -0.125754D+01 -0.738450D+00  0.138458D+00
               211           212           213           214           215 
      1  -0.331842D+01 -0.413823D+01  0.617191D+00 -0.460926D+00  0.473998D-01
      2  -0.413823D+01  0.869562D+00  0.307421D+00  0.473998D-01 -0.385411D+00
      3   0.617191D+00  0.307421D+00 -0.126735D+01 -0.279040D+00  0.703745D+00
               216           217           218           219           220 
      1  -0.279040D+00 -0.316542D+00 -0.417664D+01  0.870745D+00 -0.151446D+01
      2   0.703745D+00 -0.417664D+01 -0.842978D+00  0.121203D+01  0.353019D+01
      3   0.720366D-01  0.870745D+00  0.121203D+01  0.151181D+00  0.100322D+01
               221           222           223           224           225 
      1   0.353019D+01  0.100322D+01  0.907195D+00  0.101967D+01  0.257678D+01
      2   0.177179D+01  0.675992D+00  0.101967D+01  0.930816D+00  0.450342D+01
      3   0.675992D+00  0.616158D+01  0.257678D+01  0.450342D+01 -0.225986D+01
               226           227           228           229           230 
      1   0.559516D+00 -0.149303D+01  0.860830D-01 -0.504617D+00  0.811394D+00
      2  -0.149303D+01  0.214627D+01 -0.158821D-01  0.811394D+00 -0.982982D+01
      3   0.860830D-01 -0.158821D-01  0.159354D+00 -0.124272D+00  0.698386D+00
               231           232           233           234           235 
      1  -0.124272D+00 -0.548972D-02  0.564755D-01 -0.723109D-01 -0.674821D+01
      2   0.698386D+00  0.564755D-01  0.766911D+00 -0.178535D+00 -0.314458D+01
      3  -0.993780D+00 -0.723109D-01 -0.178535D+00  0.113863D+00  0.107548D+01
               236           237           238           239           240 
      1  -0.314458D+01  0.107548D+01 -0.488291D+01 -0.432607D+01  0.932777D+00
      2  -0.272396D+01  0.568359D+00 -0.432607D+01 -0.482942D+01  0.882577D+00
      3   0.568359D+00 -0.506878D+00  0.932777D+00  0.882577D+00 -0.844742D+00
               241           242           243           244           245 
      1   0.145192D+01  0.871793D+00  0.238699D+00 -0.108347D+01  0.254352D+01
      2   0.871793D+00  0.826978D+00 -0.235494D+00  0.254352D+01 -0.218152D+01
      3   0.238699D+00 -0.235494D+00  0.599720D-01 -0.231173D+00 -0.566353D-01
               246           247           248           249           250 
      1  -0.231173D+00  0.329052D+01 -0.367330D+01  0.174984D+00 -0.315671D+00
      2  -0.566353D-01 -0.367330D+01  0.855965D+01 -0.462564D+00  0.795194D-01
      3  -0.332681D+00  0.174984D+00 -0.462564D+00  0.103572D+01 -0.205633D+00
               251           252           253           254           255 
      1   0.795194D-01 -0.205633D+00  0.988313D+00  0.207659D+00  0.621947D+00
      2  -0.642493D+00  0.137427D+00  0.207659D+00  0.455249D+00 -0.110717D+00
      3   0.137427D+00 -0.579980D-01  0.621947D+00 -0.110717D+00  0.554715D+00
               256           257           258           259           260 
      1  -0.175874D+01 -0.170648D+01  0.132263D+01  0.430146D+01  0.134268D+01
      2  -0.170648D+01 -0.210417D+01  0.190776D+01  0.134268D+01  0.190687D+01
      3   0.132263D+01  0.190776D+01 -0.310915D+01 -0.357979D+01 -0.289702D+01
               261           262           263           264           265 
      1  -0.357979D+01 -0.696319D+00 -0.502196D+00 -0.135250D+01 -0.355193D+01
      2  -0.289702D+01 -0.502196D+00 -0.187316D+00 -0.525609D+00 -0.292143D+01
      3   0.654699D+01 -0.135250D+01 -0.525609D+00 -0.586014D-01 -0.169863D+01
               266           267           268           269           270 
      1  -0.292143D+01 -0.169863D+01 -0.537073D+01 -0.221177D+01 -0.274318D+01
      2  -0.345286D+01 -0.208895D+01 -0.221177D+01 -0.256890D+01 -0.260200D+01
      3  -0.208895D+01 -0.263405D+01 -0.274318D+01 -0.260200D+01 -0.344610D+01
               271           272           273           274           275 
      1  -0.141022D+02  0.274431D+01  0.977420D+00  0.662102D+01 -0.222205D+01
      2   0.274431D+01 -0.130086D+01 -0.307026D+00 -0.222205D+01  0.172247D+01
      3   0.977420D+00 -0.307026D+00 -0.119515D+01 -0.618985D+00  0.100545D+00
               276           277           278           279 
      1  -0.618985D+00  0.622800D+00 -0.275850D+00 -0.159322D+01
      2   0.100545D+00 -0.275850D+00 -0.515993D-01 -0.721317D-01
      3   0.482063D+00 -0.159322D+01 -0.721317D-01  0.461593D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.246645D+01  0.414533D+01 -0.297311D+00  0.554407D+01  0.574257D+01
      2   0.162267D+02  0.633573D+01 -0.100447D+01 -0.146266D+02  0.516973D+00
      3  -0.318040D+01  0.403012D+02 -0.343465D+01  0.344941D+02  0.254347D+02
                 6             7             8             9            10 
      1  -0.122394D+01  0.363604D+01  0.664793D+01 -0.782707D+00  0.231584D+01
      2   0.785801D+00 -0.196755D+02 -0.287144D+01  0.247523D+01 -0.195809D+02
      3  -0.488795D+01 -0.314371D+01 -0.847296D+01 -0.756519D-01  0.181315D+01
                11            12            13            14            15 
      1   0.676581D+01 -0.948386D+00  0.729119D+01  0.870837D+00  0.164593D+00
      2   0.395633D+00 -0.365459D+01  0.212604D+02  0.363554D+01 -0.233836D+01
      3   0.471667D+02 -0.431072D+01  0.671392D+02  0.223142D+02 -0.880579D+01
                16            17            18            19            20 
      1   0.285353D+01  0.610349D+01 -0.137306D+01  0.317016D+01 -0.318189D+00
      2  -0.231521D+02 -0.196439D+01  0.284491D+01 -0.246473D+02 -0.802807D+01
      3  -0.574728D+01 -0.889453D+01  0.249180D+01  0.117094D+02 -0.306063D+02
                21            22            23            24            25 
      1  -0.466368D+00 -0.820470D+00  0.390282D+01 -0.251312D+01  0.604740D+01
      2   0.510393D+00 -0.138615D+02 -0.161528D+01 -0.141189D+01 -0.166245D+02
      3   0.119380D+01  0.184943D+01  0.327657D+01 -0.254443D+00  0.414642D+01
                26            27            28            29            30 
      1   0.151299D+01  0.258060D+01  0.387509D+01  0.870496D+00 -0.229157D+00
      2  -0.660792D+01  0.210155D+01  0.342657D+02  0.378263D+01  0.665721D+00
      3   0.462685D+01  0.240527D+01  0.134945D+02  0.926247D+01 -0.695853D+00
                31            32            33            34            35 
      1   0.628191D+01 -0.617888D+01  0.312312D+01 -0.210864D+01  0.156128D+02
      2   0.418357D+01  0.462652D-01  0.271347D+00 -0.163046D+02 -0.143403D+01
      3   0.320395D+02  0.211354D+00  0.326297D+01 -0.374259D+01 -0.112072D+01
                36            37            38            39            40 
      1  -0.261048D+01  0.223520D+01 -0.551442D+01 -0.473896D+01 -0.327011D+01
      2   0.122482D+01  0.176682D+01  0.453889D+00  0.274574D+01  0.526173D+01
      3  -0.817615D-01  0.303723D+02  0.185766D+00 -0.528400D+00 -0.415122D+01
                41            42            43            44            45 
      1   0.579312D+01 -0.120982D+01 -0.164939D+02  0.762301D+01  0.104418D+01
      2   0.242106D+01  0.799734D+00 -0.844340D+01  0.757595D+01  0.628694D+00
      3   0.593837D+01 -0.236421D+01 -0.787569D+00 -0.233981D+01  0.686421D+01
                46            47            48            49            50 
      1  -0.556374D+01  0.435598D+00  0.493291D+01 -0.260213D+01 -0.425291D+01
      2  -0.713591D+01 -0.902793D+00  0.986328D+00 -0.117386D+01 -0.957875D+00
      3  -0.526545D+02 -0.309946D+02  0.624263D+01 -0.109400D+02 -0.244371D+02
                51            52            53            54            55 
      1  -0.296944D+01  0.834206D+01 -0.477266D+01 -0.259143D+01 -0.145521D+01
      2   0.986800D+00 -0.169713D+02  0.159712D+01  0.330121D+00 -0.745115D+01
      3   0.349631D+01  0.864941D+01  0.598513D+01 -0.689224D+01 -0.305134D+02
                56            57            58            59            60 
      1  -0.565288D+01  0.552717D+01  0.119317D+01 -0.327858D+01 -0.239469D+01
      2  -0.398252D+01 -0.538924D+01 -0.430485D+01 -0.349039D+01  0.355598D+01
      3  -0.342157D+02  0.491452D+01 -0.291864D+01 -0.275390D+02  0.165226D+01
                61            62            63            64            65 
      1   0.531138D+01 -0.214030D+01 -0.696467D+00  0.414101D+00  0.728840D+00
      2  -0.222978D+02  0.563502D+01  0.101877D+01 -0.641334D+00 -0.368045D+00
      3   0.453119D+01  0.581696D+01 -0.110837D+02 -0.112435D+01  0.143901D+01
                66            67            68            69            70 
      1   0.581921D+00 -0.395867D+00  0.171705D+01 -0.364104D+01  0.274544D+00
      2  -0.227098D+00 -0.782604D+00  0.811796D+00 -0.123094D+01 -0.252500D+01
      3   0.136863D+00  0.619647D+01  0.420917D+01 -0.605624D+00  0.686816D-01
                71            72            73            74            75 
      1   0.218665D+01 -0.155291D+00 -0.163386D+00 -0.133225D+01 -0.254645D+01
      2   0.117925D+01  0.281603D-01  0.369357D+01  0.119853D+01  0.181063D+01
      3  -0.452180D+00 -0.763167D+00  0.963157D+01 -0.309335D+00 -0.769015D+00
                76            77            78            79            80 
      1  -0.146904D+01 -0.207543D+01 -0.287899D+01  0.304349D+01  0.140700D+01
      2   0.184693D+01  0.145913D+01  0.236449D+01 -0.345088D+01  0.323300D-01
      3   0.202996D+01 -0.144328D+01 -0.140161D+00 -0.180189D+01  0.219082D+00
                81            82            83            84            85 
      1  -0.165793D+00 -0.120340D+01  0.150458D+01  0.133916D+01  0.364865D+00
      2  -0.630723D+00 -0.873836D+00  0.832210D+00  0.631086D+00  0.736032D+00
      3  -0.115045D+01 -0.544551D+01  0.230251D+01  0.100340D+00  0.562881D+01
                86            87            88            89            90 
      1  -0.418108D+01 -0.486459D+01 -0.123853D+01  0.272250D+01  0.353983D+00
      2  -0.130854D+01 -0.847729D+00 -0.575997D+00 -0.872507D+00  0.243167D+00
      3  -0.382413D+01  0.714471D+00  0.568743D+00  0.481295D+00  0.943090D+00
                91            92            93            94            95 
      1  -0.129618D+01  0.109649D+01 -0.216121D+00 -0.248557D+01  0.261923D+00
      2  -0.245555D+02 -0.201326D+01 -0.920318D+01  0.170952D+01  0.793238D+01
      3  -0.360705D+00 -0.284222D+01 -0.124111D+01  0.163013D+02 -0.520674D+01
                96            97            98            99           100 
      1  -0.284050D+01 -0.228249D+01  0.345910D+01  0.368283D+01  0.666859D+00
      2  -0.797144D+00 -0.409164D+02 -0.601553D+01 -0.489808D+01 -0.237182D+01
      3  -0.119376D+02 -0.189725D+01 -0.121726D+02  0.612544D+01  0.111264D+02
               101           102           103           104           105 
      1  -0.319010D+01  0.411716D+01 -0.105324D+01 -0.435433D+01  0.588921D+01
      2   0.441358D+01  0.169224D+02  0.108314D+01 -0.852751D+01  0.469896D+01
      3  -0.167537D+02 -0.647942D+01 -0.103650D+02 -0.506930D+00  0.138141D+02
               106           107           108           109           110 
      1   0.312542D+00  0.102995D+02  0.169170D+01 -0.576285D+01 -0.172719D+01
      2   0.857771D+01  0.966632D+01  0.145768D+02  0.225006D+02  0.257592D+01
      3  -0.485996D+01  0.937913D+01 -0.153403D+02  0.167457D+01  0.158152D+02
               111           112           113           114           115 
      1   0.458198D+01 -0.123437D+02 -0.368021D+01 -0.175785D+02  0.399397D+01
      2  -0.190773D+00 -0.558996D+00  0.760732D-01 -0.377318D+01  0.258401D+02
      3   0.338945D+00  0.129515D+02  0.864295D+01  0.333904D+01  0.329100D+00
               116           117           118           119           120 
      1  -0.507613D+01  0.163747D+01 -0.578237D+00 -0.133608D+01  0.395742D+00
      2  -0.684539D+00 -0.578002D+00 -0.329322D+01 -0.772370D+00  0.635936D+01
      3   0.468351D+01 -0.990943D+00 -0.737714D+01 -0.619618D+01  0.212718D+01
               121           122           123           124           125 
      1   0.925526D-01 -0.232701D+01  0.305156D+00  0.217179D+00  0.291527D+01
      2   0.871683D+00 -0.516962D+01  0.587383D+01  0.577977D+01  0.464881D+01
      3  -0.136965D+01 -0.896023D+01  0.693423D+01  0.176445D+01  0.873488D+01
               126           127           128           129           130 
      1  -0.882697D+00 -0.915130D+00  0.154044D+01 -0.299835D+01  0.284466D+00
      2  -0.916268D+01 -0.734650D+01 -0.317758D+01 -0.981483D+01 -0.577050D-03
      3  -0.613638D+01  0.372109D+01  0.512591D+01  0.625277D+01  0.320244D+01
               131           132           133           134           135 
      1   0.101187D+00 -0.246422D+01 -0.167902D+01  0.146265D+01 -0.774143D+01
      2  -0.365109D+01 -0.485450D+01 -0.627521D+01 -0.833802D+01 -0.255308D+02
      3   0.427903D+01  0.425264D+01  0.304901D+01  0.679345D+01  0.127084D+02
               136           137           138           139           140 
      1   0.169152D+01  0.148083D+01 -0.227510D+01  0.396473D+00  0.798805D+01
      2   0.186024D+01 -0.554138D+00 -0.210456D+01 -0.642278D+00  0.532004D+01
      3   0.514502D+01  0.499560D+01 -0.161653D+01  0.355035D+01  0.177803D+02
               141           142           143           144           145 
      1  -0.729502D+01 -0.399977D+00 -0.501043D+01  0.670881D+01  0.250437D+00
      2  -0.549379D+01 -0.169096D+01 -0.518704D+01  0.548724D+01  0.673072D+01
      3  -0.683078D+01 -0.207739D+01 -0.119454D+02  0.789652D+01 -0.652489D+01
               146           147           148           149           150 
      1  -0.190555D+01  0.202374D+01 -0.109341D+01  0.710097D+00 -0.137024D+01
      2  -0.169958D+00  0.635019D+01 -0.127569D+01  0.184467D+01 -0.296280D+00
      3  -0.663936D+01 -0.328183D+00 -0.979726D+00  0.897347D+00 -0.148728D+01
               151           152           153           154           155 
      1   0.106452D+01 -0.393676D+00 -0.405206D+00  0.420030D+01  0.176048D+01
      2   0.225007D+01 -0.144988D+01 -0.251764D+01 -0.102808D+02  0.151219D+00
      3   0.128165D+01 -0.121409D+01  0.606387D+00 -0.711120D+01 -0.257752D+02
               156           157           158           159           160 
      1  -0.422827D+01  0.935918D+01  0.258881D+01  0.108940D+01 -0.183204D+01
      2   0.252029D+02  0.241305D+01 -0.120869D+01  0.450797D+01  0.693326D+01
      3  -0.143930D+01 -0.167767D+02 -0.112969D+02 -0.205096D+01 -0.540901D+00
               161           162           163           164           165 
      1   0.310719D+01 -0.177486D+00  0.623351D+01  0.167868D+01  0.101552D+01
      2   0.294487D+01  0.249642D+01 -0.985071D+01 -0.299079D+01  0.161525D+01
      3  -0.263561D+01 -0.184012D+01 -0.367855D+01 -0.335834D+01  0.524330D+00
               166           167           168           169           170 
      1   0.423332D+01 -0.438698D+00  0.486755D+01  0.164561D+01  0.831487D+01
      2  -0.305246D+01  0.665123D+01  0.440904D+00 -0.125814D+02  0.532254D+00
      3   0.231876D+01  0.647074D+00 -0.610653D+01  0.151520D+01 -0.285347D+01
               171           172           173           174           175 
      1  -0.134907D+01 -0.599482D+01 -0.173110D+01 -0.208233D+01 -0.557660D+01
      2   0.229510D+02  0.221477D+02  0.153909D+01 -0.637654D+01  0.358326D+01
      3   0.603194D+00  0.263817D+01  0.186330D+01  0.638473D-01  0.495071D+01
               176           177           178           179           180 
      1   0.178771D+00 -0.277296D+01 -0.199391D+01 -0.106302D+01 -0.672475D+00
      2   0.215959D+01 -0.960084D+00 -0.738232D+00  0.563704D+00  0.152085D+01
      3  -0.126393D+00 -0.108723D+01  0.402368D+00  0.106645D+01  0.134321D+00
               181           182           183           184           185 
      1  -0.279123D+00  0.408713D+01 -0.601869D+01 -0.312771D+01  0.429294D+00
      2   0.784682D+00  0.220451D+01  0.796498D+01 -0.632421D+01  0.263562D+01
      3   0.176672D+02  0.637792D+01 -0.261620D+01 -0.179788D+02  0.879887D+01
               186           187           188           189           190 
      1  -0.939963D+00 -0.119278D+02  0.561214D+01  0.229867D+01  0.261168D+01
      2   0.365215D+01 -0.393393D+01  0.115299D+02 -0.351529D+01 -0.111912D+02
      3   0.364302D+00  0.167657D+01 -0.373039D+01 -0.526108D-01  0.105579D+02
               191           192           193           194           195 
      1   0.749006D+01  0.718249D+00  0.716992D+01  0.617844D+01  0.215907D+01
      2  -0.429308D+00  0.104262D+01  0.310567D+01 -0.233016D+01 -0.657012D+00
      3   0.223071D+02 -0.366710D+01  0.490412D+02  0.824083D+01 -0.604474D+01
               196           197           198           199           200 
      1  -0.219955D+01  0.126039D+02 -0.168685D+01 -0.141136D+00 -0.652173D+01
      2   0.219643D+01 -0.465105D+01 -0.201441D+01  0.152624D+02 -0.997172D+00
      3  -0.663956D+01 -0.487705D+01  0.361149D+00  0.123774D+02 -0.377676D+02
               201           202           203           204           205 
      1   0.262045D+00 -0.108727D+01 -0.362268D+01 -0.255368D+01  0.759699D+01
      2   0.220059D+01  0.303245D+01 -0.195757D+01 -0.441475D+01 -0.206356D+02
      3   0.335693D+01 -0.304095D+01 -0.140404D+02  0.345470D+01  0.743795D+00
               206           207           208           209           210 
      1   0.291441D+01 -0.119388D+01 -0.280758D+01 -0.719169D+01 -0.132857D+01
      2  -0.164965D+02  0.466306D+01  0.147449D+01 -0.194674D+01  0.148684D+02
      3   0.842160D+01  0.719741D+01 -0.961485D+01 -0.447922D+02  0.449256D+01
               211           212           213           214           215 
      1  -0.320589D+00  0.315346D+00 -0.523565D+01 -0.197950D+01 -0.118393D+01
      2  -0.147020D+01  0.333164D+00  0.623655D+01 -0.531100D+01 -0.111409D+01
      3  -0.603585D+01  0.109702D+02 -0.544394D+00  0.304559D+01  0.488928D+01
               216           217           218           219           220 
      1   0.126180D+01 -0.639148D+00  0.290315D+01  0.132571D+01  0.492905D+01
      2  -0.153972D+01 -0.621615D+01 -0.402323D+01 -0.190623D+01 -0.394994D+01
      3   0.201836D+01 -0.299987D+02  0.134264D+02  0.607492D+01  0.328428D+02
               221           222           223           224           225 
      1   0.393696D+01  0.512617D+01  0.130927D+02  0.694118D+01 -0.516023D+00
      2  -0.375612D+01 -0.398018D+02 -0.202974D+02 -0.300444D+02  0.142586D+02
      3   0.255642D+02  0.926549D+00  0.477855D+01  0.146872D+01  0.302170D+02
               226           227           228           229           230 
      1  -0.328610D+00  0.429397D+00  0.127783D+01 -0.195284D+00  0.344851D+00
      2  -0.600159D+00  0.688772D-01  0.285849D+00  0.552534D+00 -0.192792D+01
      3  -0.740171D+01  0.510393D+01  0.241086D+00  0.564162D+01 -0.198589D+02
               231           232           233           234           235 
      1  -0.475760D+01 -0.342454D+00  0.276719D+01  0.234013D+00  0.167145D+01
      2   0.799814D+00 -0.161964D+00 -0.193544D+00 -0.622861D-01 -0.181135D+01
      3   0.167888D+01  0.391666D+00  0.116279D+01  0.329751D+00  0.527170D+01
               236           237           238           239           240 
      1   0.113592D+00 -0.208678D+01  0.649434D+00 -0.159540D+00 -0.292730D+01
      2  -0.140053D+01  0.215537D+01 -0.203864D+01 -0.226867D+01  0.387518D+01
      3  -0.531660D+01 -0.143594D+00 -0.484595D+01 -0.118764D+02  0.154975D+01
               241           242           243           244           245 
      1   0.236815D+01  0.116793D+01  0.422162D-01 -0.205253D+00  0.555989D+00
      2  -0.285455D+01  0.329553D+00 -0.284258D+00  0.395736D-01  0.610141D+00
      3  -0.293106D+00  0.161094D+01 -0.128269D+01  0.388867D+01 -0.408129D+01
               246           247           248           249           250 
      1   0.126859D+01  0.428749D+00 -0.514458D+00 -0.418103D+01 -0.217585D+00
      2   0.144762D+01  0.298380D+00  0.577107D+00 -0.356552D+01 -0.213097D+01
      3  -0.271350D+00 -0.182216D+01  0.201353D+02 -0.129317D+01 -0.520969D-01
               251           252           253           254           255 
      1   0.183483D+01  0.624736D-01 -0.109501D+01  0.290383D+00  0.114256D+01
      2   0.208283D+00  0.259954D+00 -0.558321D+01  0.929387D+00 -0.285084D+01
      3  -0.188994D+01 -0.624994D-01 -0.930027D+00  0.111574D+01 -0.115024D+01
               256           257           258           259           260 
      1  -0.481118D-01 -0.115183D+01 -0.222410D+01 -0.238310D+01  0.224173D+01
      2  -0.538416D+01 -0.105668D+02  0.181525D+02  0.149545D+02  0.175057D+02
      3  -0.911756D+01 -0.172312D+02  0.121571D+02  0.654891D+01  0.146307D+02
               261           262           263           264           265 
      1   0.377900D+01 -0.147112D+00 -0.357083D+00 -0.109206D+00 -0.302561D+01
      2  -0.369544D+02  0.873223D+01  0.302640D+01  0.135415D+01  0.854303D+01
      3  -0.188565D+02 -0.476938D+01 -0.317201D+01 -0.243670D+01 -0.151238D+02
               266           267           268           269           270 
      1  -0.295869D+01 -0.452724D+01 -0.435109D+01 -0.112768D+01 -0.519293D+01
      2   0.119994D+02  0.167006D+02  0.136692D+02  0.162442D+02  0.208189D+02
      3  -0.255795D+02 -0.119378D+02 -0.100093D+02 -0.175021D+02 -0.158655D+02
               271           272           273           274           275 
      1   0.170625D+01 -0.109902D+01  0.597558D-01 -0.131283D+01  0.788948D+00
      2  -0.452510D-01  0.563992D+00  0.911889D+01  0.965080D+00  0.316224D+00
      3   0.224992D+02 -0.129151D+02 -0.225574D+01 -0.148553D+02  0.116846D+02
               276           277           278           279 
      1  -0.876769D+00 -0.127342D+01  0.256613D+00  0.138907D+00
      2  -0.325964D+01  0.749088D+01  0.633672D+00 -0.225012D+01
      3   0.791584D+00 -0.189867D+01  0.130090D+00 -0.427859D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.947094D+02 -0.453973D+02  0.114647D+02  0.911789D+02 -0.616383D+01
      2   0.519586D+02  0.260355D+02 -0.768711D+01 -0.456077D+02  0.905559D+01
      3   0.427508D+02  0.193619D+02 -0.377762D+01 -0.455712D+02 -0.289176D+01
      4  -0.421853D+02  0.648141D+00  0.262177D+01 -0.403426D+01  0.751058D+01
      5   0.153644D+02  0.229837D+01 -0.202169D+01  0.108041D+01  0.171634D+01
      6   0.113993D+01 -0.390386D+01  0.603010D+00  0.317108D+01  0.205069D+01
                 6             7             8             9            10 
      1  -0.913957D+01  0.318747D+01  0.467051D+01 -0.105231D+02  0.877439D+02
      2   0.356179D+01 -0.318555D+01 -0.386838D+01 -0.438745D+00 -0.365308D+02
      3   0.557778D+01 -0.192020D-02 -0.802127D+00  0.109618D+02 -0.512131D+02
      4  -0.193435D+00  0.479114D+01  0.991906D-01 -0.463599D+00  0.115997D+02
      5  -0.955507D+00 -0.989108D+00  0.135340D+01  0.297489D+01 -0.133887D+02
      6  -0.614115D+00 -0.308982D+01  0.369277D+01  0.201902D+01  0.186658D+00
                11            12            13            14            15 
      1  -0.455312D+01 -0.962516D+01 -0.106426D+03 -0.270979D+02  0.114918D+02
      2   0.303172D+01  0.250842D+01  0.491895D+02  0.233462D+02 -0.789635D+01
      3   0.152140D+01  0.711674D+01  0.572363D+02  0.375166D+01 -0.359550D+01
      4  -0.997526D+00 -0.208823D+01 -0.191617D+02 -0.162399D+02  0.245068D+01
      5  -0.914609D+00 -0.782121D+01  0.103105D+01 -0.293903D+00  0.797630D+00
      6   0.234398D+00 -0.118709D-01 -0.101277D+01 -0.533207D+01 -0.909761D+00
                16            17            18            19            20 
      1  -0.494880D+00  0.209228D+01 -0.929536D+01  0.571779D+02  0.515852D+02
      2  -0.200530D+01 -0.144541D+01 -0.481286D+00 -0.316317D+02 -0.346690D+02
      3   0.250018D+01 -0.646867D+00  0.977665D+01 -0.255463D+02 -0.169162D+02
      4   0.391472D+00  0.248426D+01 -0.269964D+01  0.393235D+02 -0.419538D+01
      5   0.441453D+00 -0.236761D+01  0.383634D+01 -0.133273D+02 -0.441878D+01
      6  -0.207785D+01  0.472101D+01  0.534861D+00 -0.108486D+01  0.965363D+01
                21            22            23            24            25 
      1  -0.153701D+02 -0.142256D+02  0.228912D+02 -0.820914D+01 -0.693039D+01
      2   0.857546D+01  0.193180D+02 -0.267670D+02  0.450237D+01 -0.130374D+01
      3   0.679461D+01 -0.509238D+01  0.387573D+01  0.370677D+01  0.823413D+01
      4  -0.355635D+01  0.167614D+02  0.153669D+01 -0.144232D+01 -0.109712D+02
      5  -0.210111D+01 -0.644723D+01 -0.164933D+01 -0.564821D+01  0.925846D+01
      6  -0.135418D+01 -0.340715D+01  0.768390D+01  0.452594D+01  0.379406D+00
                26            27            28            29            30 
      1  -0.167191D+02 -0.565998D+01  0.220636D+02 -0.316205D+01  0.108465D+02
      2   0.952373D+01 -0.508114D+01 -0.283100D+02  0.523410D+01 -0.466130D+01
      3   0.719535D+01  0.107411D+02  0.624633D+01 -0.207206D+01 -0.618522D+01
      4  -0.143756D+01 -0.358729D+01 -0.109586D+02  0.868986D+01 -0.162755D+01
      5  -0.811802D+01  0.427753D+01  0.130259D+02 -0.173647D+01  0.691925D+01
      6   0.854978D+01  0.377724D+01  0.395758D+01 -0.456354D+01  0.165691D+01
                31            32            33            34            35 
      1  -0.316047D+02 -0.655249D+02  0.910716D+01  0.155151D+02  0.104217D+02
      2   0.249110D+02  0.553378D+02 -0.103182D+02 -0.118735D+01 -0.762794D+01
      3   0.669371D+01  0.101871D+02  0.121102D+01 -0.143278D+02 -0.279377D+01
      4  -0.359823D+02  0.363676D+01 -0.174091D+01  0.808702D+01 -0.306357D+01
      5   0.958165D+01  0.124472D+01  0.490096D+00  0.245271D+02  0.425422D+01
      6   0.687451D+00 -0.153469D+02 -0.529971D+00 -0.230931D+00  0.591438D+01
                36            37            38            39            40 
      1  -0.744593D+01 -0.110405D+02 -0.659766D+02  0.107110D+02  0.278912D+02
      2  -0.664335D+01  0.558576D+01  0.503340D+02 -0.352183D+01 -0.281644D+02
      3   0.140893D+02  0.545474D+01  0.156427D+02 -0.718920D+01  0.273123D+00
      4  -0.813775D+00 -0.876692D+01 -0.856937D+01  0.510303D+01  0.115689D+02
      5  -0.157539D+01 -0.242265D+01  0.891073D+01  0.471347D+01  0.275697D+01
      6   0.580901D+00  0.507193D+01 -0.914430D+01  0.109340D+02  0.483220D+01
                41            42            43            44            45 
      1   0.402971D+02 -0.512208D+01  0.545465D+01  0.769579D+01 -0.165842D+02
      2  -0.351254D+02  0.603968D+01  0.722827D+01 -0.193611D+00  0.350090D+00
      3  -0.517164D+01 -0.917598D+00 -0.126829D+02 -0.750218D+01  0.162341D+02
      4  -0.157150D+02  0.354181D+01  0.949785D+01  0.537467D+01  0.780164D+01
      5   0.919447D+00  0.461084D+01  0.158652D+02  0.490517D+01 -0.605175D+01
      6   0.120345D+02 -0.140914D+01  0.178236D+02  0.105075D+02 -0.775424D+01
                46            47            48            49            50 
      1   0.179408D+02  0.481586D+02 -0.129361D+02 -0.167463D+02  0.125064D+01
      2  -0.134920D+02 -0.343853D+02  0.464909D+01  0.135608D+02 -0.118684D+02
      3  -0.444881D+01 -0.137733D+02  0.828704D+01  0.318550D+01  0.106177D+02
      4  -0.743502D-01 -0.684587D+01  0.287740D+00  0.445883D+01  0.134723D+02
      5   0.110223D+02 -0.140544D+01 -0.127481D+01  0.263200D+01 -0.140020D+01
      6  -0.846925D+00  0.127699D+02 -0.106208D+02 -0.296101D+01  0.455101D+01
                51            52            53            54            55 
      1  -0.341137D+00 -0.281802D+01 -0.615174D+01 -0.231769D+02  0.199673D+02
      2   0.400896D+01  0.340033D+00  0.142433D+02  0.108741D+02 -0.172756D+02
      3  -0.366782D+01  0.247799D+01 -0.809158D+01  0.123028D+02 -0.269168D+01
      4  -0.199417D+01 -0.628309D+00  0.192912D+01 -0.374209D+01  0.294632D+02
      5  -0.288555D+00  0.361168D+01 -0.147927D+00  0.406915D+01 -0.123274D+02
      6   0.744947D+01 -0.428355D+01  0.225808D+02 -0.529274D+01 -0.241527D+01
                56            57            58            59            60 
      1   0.524221D+02 -0.107604D+02  0.500992D+01  0.249652D+02 -0.456061D+01
      2  -0.322144D+02  0.449116D+01  0.697355D+00 -0.248616D+02  0.408948D+01
      3  -0.202077D+02  0.626927D+01 -0.570727D+01 -0.103625D+00  0.471138D+00
      4  -0.361226D+02 -0.227026D+00  0.310001D+02  0.167621D+02 -0.166710D+01
      5  -0.100117D+01 -0.109076D+02 -0.477835D+01 -0.466352D+00  0.492035D+01
      6   0.406863D+01 -0.905844D+01 -0.132983D+01  0.512068D+01  0.693144D+01
                61            62            63            64            65 
      1  -0.448901D+01 -0.985065D+01 -0.197510D+02  0.220838D+01 -0.279918D+00
      2   0.303025D+01  0.102191D+02  0.723510D+01  0.989929D+00 -0.110638D+01
      3   0.145876D+01 -0.368459D+00  0.125159D+02 -0.319831D+01  0.138629D+01
      4  -0.474839D+01  0.809657D+01  0.126221D+02 -0.714043D+01  0.897308D+01
      5   0.291427D+01  0.145377D+02  0.139735D+01 -0.296624D+01  0.147943D+01
      6   0.841776D+00  0.207547D+02  0.249185D+00  0.189096D+01 -0.156365D+01
                66            67            68            69            70 
      1  -0.849568D+00  0.372027D+01 -0.221399D+02 -0.916338D-01 -0.301693D+01
      2   0.384290D+00 -0.723316D+01  0.278931D+02  0.136336D-03  0.219308D+01
      3   0.465278D+00  0.351289D+01 -0.575318D+01  0.914974D-01  0.823853D+00
      4   0.616915D+00  0.127342D+02 -0.179220D+02 -0.297535D+00  0.553721D+00
      5   0.837344D+00  0.154729D+01 -0.318267D+00 -0.231097D+01  0.348848D+00
      6  -0.539916D+00 -0.231200D+01  0.421399D+01  0.516758D+01 -0.198289D+01
                71            72            73            74            75 
      1   0.242990D+01 -0.289036D+01  0.481560D+01 -0.426528D+01  0.158881D+01
      2  -0.217745D+01  0.289393D+01  0.456358D+01  0.113833D+02 -0.122326D+01
      3  -0.252448D+00 -0.357615D-02 -0.937918D+01 -0.711799D+01 -0.365549D+00
      4   0.754168D+00 -0.720136D+00  0.278483D+02  0.238972D+02 -0.543540D+01
      5   0.135102D+00  0.131226D-01 -0.889871D+01 -0.557312D+01  0.573712D+01
      6   0.207205D+01 -0.521474D+00 -0.748662D+01 -0.713472D+01  0.505438D+01
                76            77            78            79            80 
      1  -0.736395D+01 -0.153903D+02  0.428303D+01 -0.664894D+00  0.235540D+01
      2   0.159647D+02  0.256640D+02 -0.377921D+01 -0.240425D+01 -0.314064D+01
      3  -0.860079D+01 -0.102737D+02 -0.503821D+00  0.306914D+01  0.785242D+00
      4   0.269812D+02  0.307131D+02 -0.595164D+01 -0.654116D+01 -0.548013D+01
      5  -0.603917D+01 -0.626212D+01  0.499763D+01  0.183737D+01  0.352063D+01
      6  -0.866350D+01 -0.107742D+02  0.763281D+01  0.694698D+00  0.458560D+01
                81            82            83            84            85 
      1  -0.893492D+00 -0.538340D+01  0.995959D+01 -0.391985D+00  0.623883D+01
      2   0.142279D+01  0.800016D+01 -0.140910D+02  0.433840D+00 -0.762985D+01
      3  -0.529300D+00 -0.261676D+01  0.413143D+01 -0.418556D-01  0.139103D+01
      4   0.376353D+01 -0.526035D+01  0.134471D+02 -0.122318D+01  0.823531D+01
      5  -0.191709D+01  0.165031D+01 -0.258569D+01  0.213545D+01 -0.165569D+01
      6  -0.240190D+01 -0.169696D+01  0.203116D+01 -0.213382D+01  0.206032D+01
                86            87            88            89            90 
      1  -0.547674D+02  0.630609D+01 -0.264307D+00  0.437426D+01 -0.235265D+01
      2   0.727035D+02 -0.581113D+01  0.731094D+00 -0.532433D+01  0.248070D+01
      3  -0.179361D+02 -0.494959D+00 -0.466787D+00  0.950064D+00 -0.128053D+00
      4  -0.151169D+02  0.169750D+01 -0.943929D+00 -0.405764D+00 -0.141025D+01
      5   0.478368D+01 -0.169558D+01  0.103528D+01 -0.166005D+01  0.171619D+00
      6  -0.141170D+02  0.992093D+01  0.652746D+00  0.444663D+01 -0.150748D+01
                91            92            93            94            95 
      1  -0.425802D+02 -0.186636D+02 -0.120226D+02 -0.783752D+01 -0.800110D+00
      2   0.351284D+02  0.155722D+02  0.573123D+01  0.931945D+01  0.843070D+00
      3   0.745174D+01  0.309138D+01  0.629139D+01 -0.148193D+01 -0.429605D-01
      4  -0.118045D+02 -0.994287D+01  0.259793D+01 -0.202198D+02  0.856703D+01
      5  -0.150558D+02  0.236420D+01 -0.222064D+02  0.906176D+01  0.247156D+02
      6   0.732266D+00  0.505768D+01  0.425159D+00  0.638998D+01 -0.307387D+01
                96            97            98            99           100 
      1   0.977162D+01 -0.313817D+02 -0.107191D+01 -0.194898D+02 -0.577102D+02
      2  -0.103033D+02  0.232659D+02 -0.426000D+01  0.121597D+02  0.314092D+02
      3   0.531703D+00  0.811580D+01  0.533191D+01  0.733009D+01  0.263010D+02
      4   0.246981D+02  0.245185D+01  0.213934D+02 -0.102205D+02  0.286243D+02
      5  -0.243825D+01 -0.420165D+02 -0.121883D+02  0.215681D+01  0.296139D+02
      6  -0.949889D+01 -0.606600D+01 -0.186951D+01  0.702816D+01 -0.625033D+01
               101           102           103           104           105 
      1   0.267135D+02  0.275323D+02  0.646223D+01  0.524245D+01 -0.492159D+01
      2  -0.190591D+02 -0.596810D+01 -0.832629D+01 -0.508809D+01  0.192545D+02
      3  -0.765445D+01 -0.215642D+02  0.186406D+01 -0.154367D+00 -0.143329D+02
      4   0.103073D+02 -0.111016D+01  0.148067D+02 -0.122650D+02 -0.247439D+02
      5  -0.589111D+00  0.208492D+02  0.121298D+01 -0.260561D+02  0.592801D+01
      6  -0.393377D+01 -0.126966D+02 -0.673803D+01  0.129506D+02 -0.104379D+01
               106           107           108           109           110 
      1   0.199006D+02  0.144415D+01  0.370634D+02 -0.994899D+02 -0.145587D+02
      2  -0.828163D+01  0.148768D+02 -0.146913D+02  0.396392D+02  0.131144D+01
      3  -0.116190D+02 -0.163209D+02 -0.223720D+02  0.598507D+02  0.132472D+02
      4   0.182467D+01 -0.169962D+02  0.943133D+01 -0.270000D+02 -0.229333D+02
      5   0.137041D+02  0.152028D+02  0.137749D+02 -0.199663D+02 -0.772954D+01
      6  -0.734898D+01 -0.704280D+01 -0.155702D+02 -0.252116D+01 -0.212269D+01
               111           112           113           114           115 
      1  -0.130844D+02 -0.141031D+02 -0.789697D+01 -0.613604D+01  0.456623D+02
      2   0.379419D+01  0.270922D+01  0.696087D+01  0.163591D+01 -0.366200D+02
      3   0.929021D+01  0.113939D+02  0.936091D+00  0.450013D+01 -0.904225D+01
      4  -0.610611D+01  0.106964D+02 -0.893906D+01 -0.330320D+01 -0.341113D+01
      5  -0.142099D+02 -0.619734D+01 -0.390964D+01 -0.277726D+01  0.431685D+02
      6  -0.272390D+01 -0.444885D+01  0.233961D+00  0.374350D+01  0.860471D+01
               116           117           118           119           120 
      1   0.106153D+01  0.335457D+02  0.175273D+02  0.929627D+01 -0.641033D+01
      2  -0.274029D+01 -0.117246D+02 -0.127381D+02 -0.674989D+01  0.569620D+01
      3   0.167876D+01 -0.218211D+02 -0.478929D+01 -0.254639D+01  0.714130D+00
      4  -0.120418D+01  0.419563D+01  0.152362D+02  0.126354D+02 -0.561059D+01
      5   0.528594D+01  0.283262D+01 -0.166281D+02 -0.660759D+01  0.177437D+02
      6  -0.296236D+01 -0.450432D+00 -0.550813D+01 -0.325609D+01  0.308710D+01
               121           122           123           124           125 
      1   0.199593D+02  0.201926D+01 -0.131292D+01 -0.869398D+01 -0.545003D+00
      2  -0.129893D+02 -0.847647D+00  0.358171D+01  0.890184D+01  0.437966D+01
      3  -0.697003D+01 -0.117161D+01 -0.226879D+01 -0.207855D+00 -0.383466D+01
      4   0.150113D+02  0.194217D+02 -0.153947D+02 -0.710134D+01 -0.164922D+02
      5  -0.130863D+02 -0.159796D+02  0.146333D+02  0.240613D+02  0.127427D+02
      6  -0.491119D+01 -0.890840D+01  0.897668D+01  0.501190D+01  0.789257D+01
               126           127           128           129           130 
      1   0.171908D+01 -0.567276D+01 -0.100409D+02 -0.206738D+02 -0.105913D+01
      2  -0.104047D+02  0.382361D+00  0.629479D+01  0.376602D+01  0.228177D+00
      3   0.868564D+01  0.529039D+01  0.374612D+01  0.169077D+02  0.830956D+00
      4   0.124613D+02  0.770565D+00 -0.555414D+01 -0.153616D+01  0.768272D+00
      5  -0.276409D+02 -0.392396D+01 -0.412202D+01 -0.103624D+02  0.101046D+01
      6  -0.801949D+01  0.327005D+01  0.635641D+01  0.113091D+02  0.121012D+01
               131           132           133           134           135 
      1  -0.998450D+01 -0.837655D+01 -0.123568D+02 -0.127204D+02 -0.386116D+02
      2   0.616801D+01  0.313332D+01  0.466618D+01  0.394077D+01 -0.190225D+01
      3   0.381649D+01  0.524322D+01  0.769059D+01  0.877958D+01  0.405139D+02
      4  -0.484253D+01 -0.399983D+01  0.752879D+01 -0.112333D+02 -0.118175D+02
      5  -0.392563D+01 -0.690728D+01  0.572956D+01 -0.155879D+02 -0.409068D+02
      6   0.695507D+01  0.117657D+02  0.250587D+00  0.158167D+02  0.291473D+02
               136           137           138           139           140 
      1   0.367868D+00 -0.909080D+01  0.774318D+00 -0.768042D+01 -0.165613D+02
      2   0.210186D+01  0.893427D+01 -0.285455D+01  0.269412D+01  0.305633D+02
      3  -0.246973D+01  0.156538D+00  0.208023D+01  0.498630D+01 -0.140020D+02
      4  -0.250144D+01 -0.386765D+01 -0.691562D+00  0.889496D+01 -0.280254D+02
      5   0.160551D+01  0.100747D+01 -0.455231D+01  0.199157D+01  0.112294D+02
      6  -0.140262D+01  0.529911D+00  0.339613D+01 -0.172309D+00 -0.309152D+01
               141           142           143           144           145 
      1   0.532332D+01  0.552815D+01  0.709187D+01 -0.955543D+01  0.939628D+02
      2  -0.123876D+02 -0.186033D+01 -0.167484D+02  0.995512D+01 -0.475965D+02
      3   0.706431D+01 -0.366781D+01  0.965650D+01 -0.399689D+00 -0.463664D+02
      4   0.920622D+01 -0.852359D+01  0.211881D+02 -0.813663D+01 -0.521203D+02
      5  -0.117300D+02 -0.146961D+01 -0.100247D+02  0.125424D+02 -0.392829D+02
      6   0.776713D+01  0.879822D+00  0.572855D+01 -0.648001D+01  0.106665D+02
               146           147           148           149           150 
      1  -0.185890D+02 -0.142297D+02 -0.931177D+01  0.796890D+01  0.107209D+01
      2   0.515075D+01  0.100100D+02  0.117736D+01 -0.115839D+01 -0.121417D+01
      3   0.134383D+02  0.421978D+01  0.813441D+01 -0.681051D+01  0.142081D+00
      4   0.258656D+02  0.110307D+02  0.167341D+02 -0.860290D+01 -0.918771D+00
      5   0.109463D+02  0.206875D+02  0.288082D+01 -0.225483D+01 -0.174682D+01
      6  -0.621006D+01 -0.642442D+01 -0.395004D+01  0.112475D+01  0.245299D+01
               151           152           153           154           155 
      1  -0.101548D+02  0.140626D+01  0.532462D+01  0.207866D+03  0.267085D+02
      2   0.775580D+01 -0.257773D+01 -0.517079D+01 -0.975483D+02 -0.945383D+01
      3   0.239899D+01  0.117147D+01 -0.153827D+00 -0.110318D+03 -0.172546D+02
      4   0.481882D+01 -0.603517D+00 -0.581764D+01  0.375030D+02  0.431028D+02
      5   0.163489D+02 -0.528419D+01 -0.987838D+01  0.412188D+02  0.871961D+01
      6  -0.424335D+01  0.316650D+01  0.362075D+01  0.868204D+00  0.444081D+01
               156           157           158           159           160 
      1   0.128927D+02  0.231334D+02  0.352154D+02  0.684300D+00  0.128270D+02
      2  -0.119315D+02 -0.606344D+01 -0.120273D+02 -0.682604D+00 -0.114473D+02
      3  -0.961217D+00 -0.170700D+02 -0.231881D+02 -0.169545D-02 -0.137973D+01
      4   0.654742D+01  0.516164D+02  0.259345D+02  0.562229D+01  0.525470D+01
      5   0.452016D+02  0.483363D+01  0.946331D+01  0.676881D+01  0.385793D+02
      6   0.175476D+01  0.987953D+01  0.373072D+01  0.598147D+01  0.218226D+01
               161           162           163           164           165 
      1   0.141691D+01  0.215123D+02  0.671251D+02  0.675843D+01  0.214999D+02
      2  -0.130973D+01 -0.152259D+02 -0.456656D+02 -0.272303D+01 -0.129236D+02
      3  -0.107177D+00 -0.628640D+01 -0.214595D+02 -0.403540D+01 -0.857629D+01
      4   0.268510D+01  0.594085D+01  0.835869D+01  0.685125D+01 -0.107581D+01
      5   0.659216D+01  0.117332D+02  0.406117D+02 -0.583397D+00  0.219459D+02
      6   0.460373D+01  0.189240D+01  0.392241D+01  0.586541D+00  0.771785D+00
               166           167           168           169           170 
      1   0.130638D+02 -0.117847D+02 -0.408622D-01 -0.929312D+01 -0.314904D+01
      2  -0.752448D+01  0.376089D+01  0.509063D+00  0.280551D+01  0.194115D+01
      3  -0.553928D+01  0.802378D+01 -0.468201D+00  0.648761D+01  0.120789D+01
      4   0.220799D+01 -0.226425D+01  0.103645D+02 -0.309408D+01  0.529439D+01
      5   0.445983D+01  0.929739D+01 -0.409716D+00  0.923538D+01 -0.998038D+00
      6   0.225057D+01  0.248739D+00  0.120000D+02 -0.235647D+01  0.110648D+02
               171           172           173           174           175 
      1  -0.387784D+02 -0.584384D+02 -0.226602D+01  0.265109D+01 -0.865815D+01
      2  -0.925622D+01  0.371650D+02  0.145723D+01  0.834123D+01  0.641839D+01
      3   0.480347D+02  0.212735D+02  0.808794D+00 -0.109923D+02  0.223976D+01
      4  -0.227408D+01 -0.422796D+01 -0.460936D+01  0.490613D+00  0.349197D+00
      5   0.382835D+02 -0.307909D+02  0.829502D+00 -0.200168D+02 -0.328825D+01
      6  -0.115834D+01 -0.326783D+01 -0.338491D+01  0.380350D-01 -0.620863D+00
               176           177           178           179           180 
      1  -0.412221D+01  0.662018D+00 -0.182805D+02 -0.948258D+00 -0.104422D+02
      2   0.227942D+01  0.123283D+01  0.170885D+02  0.985654D+00  0.627569D+01
      3   0.184279D+01 -0.189485D+01  0.119200D+01 -0.373963D-01  0.416646D+01
      4  -0.472355D+00  0.305095D+01 -0.172911D+01 -0.987742D+00 -0.123960D+00
      5   0.284749D+01 -0.288190D+01 -0.164202D+02  0.267486D+00 -0.604116D+01
      6  -0.102437D+01  0.304605D+01 -0.961047D+00  0.541705D+00 -0.110704D+01
               181           182           183           184           185 
      1  -0.379253D+01 -0.522955D+02  0.783557D+01  0.873873D+02  0.252853D+02
      2   0.507894D+01  0.363873D+02 -0.327282D+01 -0.604579D+02 -0.206539D+02
      3  -0.128642D+01  0.159082D+02 -0.456275D+01 -0.269294D+02 -0.463141D+01
      4  -0.190515D+02  0.441260D+02  0.340648D+01  0.222968D+02 -0.296190D+02
      5   0.115770D+02  0.430624D+01  0.151160D+02 -0.495656D+01  0.636020D+01
      6   0.527832D+01  0.109027D+01  0.107065D+02  0.392389D+01  0.455105D+01
               186           187           188           189           190 
      1  -0.905641D+01 -0.351262D+01  0.714086D+01  0.528727D+00  0.123677D+03
      2   0.719495D+01  0.681823D+01 -0.216752D+01 -0.846575D+01 -0.676858D+02
      3   0.186147D+01 -0.330561D+01 -0.497335D+01  0.793702D+01 -0.559908D+02
      4   0.367780D+01  0.736525D+01  0.287311D+01  0.177215D+02  0.941998D+01
      5   0.904661D+01  0.280809D+02  0.181106D+02 -0.731349D+01 -0.724342D+00
      6   0.238589D+01  0.155115D+02  0.962675D+01 -0.329219D+01  0.256970D+01
               191           192           193           194           195 
      1   0.268526D+02 -0.113285D+02 -0.200947D+02 -0.202771D+02  0.714439D+01
      2  -0.165064D+02  0.289009D+01  0.223932D+02  0.248596D+02 -0.813547D+01
      3  -0.103462D+02  0.843846D+01 -0.229854D+01 -0.458256D+01  0.991081D+00
      4   0.259506D+02 -0.383288D+01 -0.187383D+02  0.536404D+02 -0.324517D+01
      5  -0.512355D+01  0.319155D+01  0.769750D+01 -0.706436D+01 -0.606346D+00
      6   0.297575D+01 -0.415224D+01  0.117565D+01 -0.351065D+01 -0.394995D+01
               196           197           198           199           200 
      1  -0.184462D+00  0.231962D+01  0.254908D+02 -0.117238D+03 -0.914077D+01
      2  -0.172148D+00 -0.240648D+01 -0.226639D+02  0.519352D+02  0.425530D+01
      3   0.356610D+00  0.868624D-01 -0.282689D+01  0.653028D+02  0.488546D+01
      4   0.607183D+01 -0.793798D+01  0.930329D-01 -0.137769D+02 -0.303505D+02
      5   0.515801D+02  0.515921D+01 -0.622814D+01  0.138494D+02  0.188973D+01
      6  -0.123768D+01  0.412854D+01  0.305850D+01 -0.270294D+01  0.197399D+01
               201           202           203           204           205 
      1   0.952043D+01 -0.849115D+02 -0.980561D+01  0.573887D+01  0.212173D+02
      2  -0.436927D+01  0.543774D+02 -0.771532D+01 -0.197760D+01 -0.125588D+02
      3  -0.515116D+01  0.305341D+02  0.175209D+02 -0.376127D+01 -0.865848D+01
      4   0.149257D+01 -0.694088D+01 -0.159881D+02 -0.856637D+00 -0.626280D+00
      5   0.424907D+01  0.651282D+01  0.550423D+00 -0.995414D+01  0.288736D+01
      6   0.101917D+00 -0.378811D+01  0.403002D+01  0.600381D+01 -0.329007D+01
               206           207           208           209           210 
      1  -0.411690D+01 -0.205967D+02  0.167246D+02 -0.274916D+02  0.638823D+01
      2   0.616804D+01  0.346523D+01 -0.100781D+02  0.156201D+02  0.962508D+00
      3  -0.205114D+01  0.171314D+02 -0.664653D+01  0.118715D+02 -0.735074D+01
      4   0.176553D+01 -0.247474D+02 -0.219518D+02  0.105072D+02  0.437446D+01
      5  -0.264268D+02  0.101932D+02  0.694875D-01  0.436281D+01  0.282396D+02
      6   0.163006D+02 -0.621953D+00  0.823213D+00 -0.276815D+01  0.460237D+01
               211           212           213           214           215 
      1   0.999960D+01  0.180988D+02 -0.214073D+00 -0.196617D+00  0.750626D+00
      2  -0.101781D+02 -0.679595D+01  0.280547D+01  0.140579D+01 -0.176961D-01
      3   0.178476D+00 -0.113029D+02 -0.259140D+01 -0.120918D+01 -0.732930D+00
      4   0.468573D+02 -0.145980D+02 -0.177039D+01 -0.229583D+01 -0.407055D+00
      5  -0.199808D+01  0.769609D+00  0.999601D+01  0.114401D+02 -0.572149D+01
      6  -0.134203D+01  0.217954D+01  0.836477D+01 -0.349521D+01  0.451003D+01
               216           217           218           219           220 
      1   0.181925D+01 -0.553912D+02  0.483956D+02 -0.123584D+01  0.353380D+02
      2  -0.812068D+00  0.312376D+02 -0.262899D+02 -0.110943D+01 -0.159328D+02
      3  -0.100718D+01  0.241535D+02 -0.221057D+02  0.234526D+01 -0.194051D+02
      4  -0.681264D+01  0.464583D+02 -0.240245D+01 -0.132355D+02 -0.432291D+02
      5  -0.483304D+01 -0.719245D+00 -0.141128D+02 -0.916248D+01 -0.138038D+02
      6  -0.139543D+01 -0.595463D+01 -0.877220D+00 -0.152911D+01 -0.110559D+01
               221           222           223           224           225 
      1  -0.159233D+02 -0.191612D+02 -0.438491D+01 -0.161823D+02 -0.101969D+01
      2   0.752521D+01  0.485663D+00 -0.361892D+01  0.186119D+01  0.315224D+01
      3   0.839805D+01  0.186756D+02  0.800383D+01  0.143211D+02 -0.213255D+01
      4  -0.265193D+02 -0.908168D+01 -0.127783D+02 -0.101561D+02 -0.501092D+02
      5  -0.104061D+02 -0.753406D+02 -0.303260D+02 -0.520225D+02  0.236025D+02
      6  -0.120747D+01 -0.155251D+02 -0.127619D+02 -0.120554D+02  0.820425D+01
               226           227           228           229           230 
      1  -0.526451D+01  0.147702D+02 -0.520889D+00  0.550434D+01 -0.501116D+02
      2   0.632647D+01 -0.145187D+02  0.530508D+00 -0.462576D+01  0.620909D+02
      3  -0.106196D+01 -0.251496D+00 -0.961956D-02 -0.878585D+00 -0.119793D+02
      4   0.140184D+01  0.440979D+01 -0.804471D+00  0.326241D+01  0.194100D+02
      5   0.188666D+00 -0.115853D+01  0.116224D+01 -0.188430D+00  0.116391D+01
      6  -0.227941D+00 -0.300520D+00 -0.161650D+01  0.372407D+00 -0.298362D+01
               231           232           233           234           235 
      1   0.390550D+01  0.221838D+00  0.307754D+01 -0.196159D+01  0.402195D+02
      2  -0.383442D+01 -0.137761D+00 -0.407701D+01  0.225636D+01 -0.151430D+02
      3  -0.710754D-01 -0.840769D-01  0.999479D+00 -0.294771D+00 -0.250764D+02
      4  -0.124036D+01 -0.569675D+00 -0.245153D+01 -0.122797D+01  0.329039D+02
      5   0.204697D+01  0.171127D+01 -0.750768D+00 -0.136831D+00 -0.791388D+01
      6   0.763281D+01 -0.155813D+00  0.281628D+01 -0.824744D+00 -0.312029D+01
               236           237           238           239           240 
      1   0.128216D+02 -0.528909D+01  0.186330D+02  0.696103D+01 -0.187804D+01
      2  -0.248367D+00  0.218846D+01  0.134107D+01  0.111686D+02 -0.425061D+00
      3  -0.125732D+02  0.310063D+01 -0.199741D+02 -0.181296D+02  0.230310D+01
      4   0.259601D+02 -0.542541D+01  0.385496D+02  0.407349D+02 -0.699138D+01
      5  -0.392050D+01  0.480505D+01 -0.609469D+01 -0.469094D+01  0.658182D+01
      6  -0.247568D+01  0.252506D+01 -0.394673D+01 -0.452173D+01  0.527445D+01
               241           242           243           244           245 
      1  -0.735319D+01 -0.223959D+01 -0.648592D+00 -0.161069D+00 -0.594178D+01
      2   0.179053D+01 -0.798385D+00  0.104963D+01  0.533706D+01 -0.263828D+01
      3   0.556266D+01  0.303798D+01 -0.401040D+00 -0.517599D+01  0.858006D+01
      4  -0.820584D+01 -0.703392D+01  0.285461D+01 -0.197203D+02  0.215575D+02
      5  -0.549496D+00  0.171290D+01 -0.133008D+01  0.265235D+01 -0.141247D+01
      6  -0.444160D+00  0.188378D+01 -0.108481D+01 -0.872084D+00  0.665023D-01
               246           247           248           249           250 
      1   0.110331D+01 -0.368949D+01 -0.163865D+02  0.116311D+01  0.829319D+00
      2  -0.558291D+00 -0.853402D+01  0.339628D+02 -0.893794D+00 -0.102007D+00
      3  -0.545022D+00  0.122235D+02 -0.175763D+02 -0.269318D+00 -0.727312D+00
      4  -0.360652D+00  0.289730D+02 -0.549514D+02  0.309712D+01 -0.954524D+00
      5   0.318298D+01 -0.298497D+01  0.631005D+01 -0.678574D+01  0.215493D+01
      6  -0.188376D+01  0.163815D+01 -0.328452D+01  0.693239D+01 -0.251169D+01
               251           252           253           254           255 
      1   0.228850D+01 -0.141834D+01  0.241404D+00  0.140378D+01 -0.122590D+02
      2  -0.249144D+01  0.246143D+01 -0.120985D+01 -0.597857D+00  0.443612D+01
      3   0.202942D+00 -0.104309D+01  0.968443D+00 -0.805924D+00  0.782284D+01
      4   0.339958D+01 -0.172577D+01 -0.642246D+00 -0.821949D+00 -0.138166D+01
      5  -0.860155D+00  0.328895D+00 -0.932203D+01 -0.812526D+00 -0.127186D+01
      6   0.281277D+01 -0.838990D+00 -0.144815D+01  0.508208D+00 -0.134319D+01
               256           257           258           259           260 
      1   0.136877D+02  0.375871D+01 -0.143903D+01 -0.360795D+02 -0.107660D+01
      2  -0.840346D+01 -0.119868D+01  0.350126D+01  0.254670D+02  0.343821D+01
      3  -0.528429D+01 -0.256003D+01 -0.206223D+01  0.106125D+02 -0.236162D+01
      4   0.229143D+02  0.251422D+02 -0.207889D+02 -0.169987D+02 -0.217516D+02
      5  -0.165288D+02 -0.202817D+02  0.359607D+02  0.440473D+02  0.317327D+02
      6  -0.575900D+01 -0.849786D+01  0.121354D+02  0.100354D+02  0.116694D+02
               261           262           263           264           265 
      1   0.501389D+01  0.192285D+02  0.771872D+01  0.127703D+02  0.326050D+02
      2  -0.174658D+02 -0.842434D+01 -0.267170D+01 -0.616755D+01 -0.129711D+02
      3   0.124519D+02 -0.108041D+02 -0.504701D+01 -0.660271D+01 -0.196339D+02
      4   0.307472D+02  0.943866D+01  0.749065D+01  0.756688D+01  0.390625D+02
      5  -0.698505D+02  0.157091D+02  0.722695D+01  0.365972D+01  0.215515D+02
      6  -0.152774D+02  0.303796D+01  0.844586D+00 -0.268275D+00  0.560611D+01
               266           267           268           269           270 
      1   0.163231D+02  0.109095D+02  0.484670D+02  0.134398D+02  0.119798D+02
      2  -0.771593D+00 -0.154436D+01 -0.235520D+02 -0.341277D+01 -0.834814D+01
      3  -0.155516D+02 -0.936518D+01 -0.249150D+02 -0.100270D+02 -0.363163D+01
      4   0.425018D+02  0.239473D+02  0.282014D+02  0.299718D+02  0.290348D+02
      5   0.253265D+02  0.326440D+02  0.354807D+02  0.309073D+02  0.413279D+02
      6   0.668126D+01  0.834470D+01  0.903043D+01  0.875164D+01  0.814018D+01
               271           272           273           274           275 
      1   0.184291D+03 -0.329315D+02 -0.118990D+02 -0.755609D+02  0.258636D+02
      2  -0.966480D+02  0.174612D+02  0.751351D+01  0.392622D+02 -0.121092D+02
      3  -0.876429D+02  0.154703D+02  0.438548D+01  0.362987D+02 -0.137544D+02
      4  -0.369772D+02  0.206893D+02  0.384270D+01  0.332725D+02 -0.227129D+02
      5  -0.164811D+02  0.411639D+01  0.185630D+02  0.820544D+01 -0.173907D+01
      6   0.339106D+01 -0.154926D+01 -0.609299D+00 -0.270896D+01  0.198421D+01
               276           277           278           279 
      1   0.600439D+01 -0.760645D+01  0.286035D+01  0.150771D+02
      2  -0.346649D+01  0.560280D+01 -0.122607D+01 -0.927686D+01
      3  -0.253790D+01  0.200364D+01 -0.163427D+01 -0.580024D+01
      4  -0.171281D+01  0.328287D+01  0.333384D+00 -0.217506D+00
      5  -0.694585D+01  0.234287D+02 -0.712857D-01 -0.579280D+01
      6   0.207580D+01 -0.117123D+01  0.268634D+01 -0.350476D-02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Tue Aug 17 00:27:36 2021, MaxMem=  5637144576 cpu:           79283.0 elap:            9934.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.93844 -18.93375 -18.87380 -10.13358 -10.08658
 Alpha  occ. eigenvalues --  -10.07090 -10.04102 -10.03980 -10.03863 -10.03479
 Alpha  occ. eigenvalues --  -10.03254 -10.03117 -10.03074 -10.02787 -10.02735
 Alpha  occ. eigenvalues --  -10.01886 -10.01484  -1.14917  -1.13286  -1.06885
 Alpha  occ. eigenvalues --   -0.95655  -0.91428  -0.87148  -0.85506  -0.81840
 Alpha  occ. eigenvalues --   -0.81379  -0.77011  -0.73914  -0.70796  -0.68858
 Alpha  occ. eigenvalues --   -0.68561  -0.67079  -0.62218  -0.61052  -0.60221
 Alpha  occ. eigenvalues --   -0.58325  -0.55707  -0.55630  -0.54193  -0.53434
 Alpha  occ. eigenvalues --   -0.52888  -0.52262  -0.50605  -0.50168  -0.49721
 Alpha  occ. eigenvalues --   -0.48955  -0.47997  -0.47446  -0.45883  -0.45133
 Alpha  occ. eigenvalues --   -0.44639  -0.43382  -0.42354  -0.42051  -0.40412
 Alpha  occ. eigenvalues --   -0.40165  -0.39020  -0.38003  -0.34138  -0.32605
 Alpha  occ. eigenvalues --   -0.29269
 Alpha virt. eigenvalues --   -0.00796   0.02029   0.02485   0.02855   0.03107
 Alpha virt. eigenvalues --    0.03999   0.04292   0.04526   0.05160   0.05423
 Alpha virt. eigenvalues --    0.05800   0.05931   0.06319   0.07162   0.07491
 Alpha virt. eigenvalues --    0.07928   0.08520   0.09012   0.09813   0.10027
 Alpha virt. eigenvalues --    0.10400   0.10499   0.11340   0.11760   0.11894
 Alpha virt. eigenvalues --    0.12250   0.12460   0.12723   0.13038   0.13198
 Alpha virt. eigenvalues --    0.13528   0.13862   0.14046   0.14377   0.14673
 Alpha virt. eigenvalues --    0.15165   0.15232   0.15723   0.16306   0.16637
 Alpha virt. eigenvalues --    0.16828   0.17109   0.17229   0.17559   0.17751
 Alpha virt. eigenvalues --    0.18114   0.18672   0.18823   0.19152   0.19563
 Alpha virt. eigenvalues --    0.19879   0.20385   0.20622   0.21267   0.21423
 Alpha virt. eigenvalues --    0.22682   0.23145   0.23178   0.23432   0.23904
 Alpha virt. eigenvalues --    0.24225   0.24374   0.24452   0.24947   0.25322
 Alpha virt. eigenvalues --    0.25546   0.25908   0.26539   0.26964   0.27434
 Alpha virt. eigenvalues --    0.27750   0.27864   0.28384   0.28991   0.29134
 Alpha virt. eigenvalues --    0.29218   0.29694   0.30176   0.30537   0.30801
 Alpha virt. eigenvalues --    0.31028   0.31393   0.31448   0.32240   0.32577
 Alpha virt. eigenvalues --    0.32679   0.33154   0.33338   0.33592   0.33938
 Alpha virt. eigenvalues --    0.34306   0.34658   0.34998   0.35098   0.35586
 Alpha virt. eigenvalues --    0.36038   0.36457   0.36601   0.37216   0.37536
 Alpha virt. eigenvalues --    0.37969   0.38228   0.38480   0.38978   0.39118
 Alpha virt. eigenvalues --    0.39696   0.40100   0.40295   0.40888   0.41107
 Alpha virt. eigenvalues --    0.41702   0.41889   0.42173   0.42548   0.43192
 Alpha virt. eigenvalues --    0.43732   0.44400   0.44554   0.44738   0.45280
 Alpha virt. eigenvalues --    0.45552   0.46145   0.46730   0.47643   0.47807
 Alpha virt. eigenvalues --    0.48361   0.48491   0.49437   0.50171   0.50472
 Alpha virt. eigenvalues --    0.51363   0.51873   0.52131   0.52597   0.52808
 Alpha virt. eigenvalues --    0.53151   0.53675   0.54316   0.54952   0.55602
 Alpha virt. eigenvalues --    0.55993   0.56738   0.56780   0.57174   0.57583
 Alpha virt. eigenvalues --    0.57722   0.58212   0.58619   0.59049   0.59676
 Alpha virt. eigenvalues --    0.60266   0.60557   0.60799   0.61173   0.61844
 Alpha virt. eigenvalues --    0.62189   0.62660   0.63175   0.63509   0.63926
 Alpha virt. eigenvalues --    0.64719   0.64916   0.65236   0.65753   0.65914
 Alpha virt. eigenvalues --    0.66387   0.66842   0.67507   0.67999   0.68114
 Alpha virt. eigenvalues --    0.68211   0.69290   0.69549   0.69708   0.70151
 Alpha virt. eigenvalues --    0.70879   0.71154   0.71631   0.72020   0.72045
 Alpha virt. eigenvalues --    0.72930   0.73142   0.73235   0.73833   0.74094
 Alpha virt. eigenvalues --    0.74627   0.75529   0.76105   0.76483   0.77029
 Alpha virt. eigenvalues --    0.77624   0.78540   0.78852   0.79235   0.79442
 Alpha virt. eigenvalues --    0.79876   0.80143   0.80551   0.80876   0.81429
 Alpha virt. eigenvalues --    0.81899   0.82267   0.82701   0.82988   0.83496
 Alpha virt. eigenvalues --    0.83683   0.84754   0.85437   0.85635   0.86513
 Alpha virt. eigenvalues --    0.86809   0.87719   0.88508   0.89210   0.89914
 Alpha virt. eigenvalues --    0.90010   0.90528   0.91159   0.91671   0.91911
 Alpha virt. eigenvalues --    0.92874   0.94124   0.94422   0.94771   0.95822
 Alpha virt. eigenvalues --    0.97840   0.98343   0.99101   0.99125   0.99533
 Alpha virt. eigenvalues --    1.00665   1.02586   1.03615   1.04194   1.04864
 Alpha virt. eigenvalues --    1.06017   1.06790   1.07660   1.08208   1.09416
 Alpha virt. eigenvalues --    1.10318   1.11394   1.12637   1.12919   1.14407
 Alpha virt. eigenvalues --    1.14768   1.15881   1.16085   1.17480   1.19533
 Alpha virt. eigenvalues --    1.19729   1.20542   1.22268   1.22810   1.23826
 Alpha virt. eigenvalues --    1.24767   1.25501   1.26131   1.27087   1.27665
 Alpha virt. eigenvalues --    1.28246   1.29510   1.30256   1.31696   1.33281
 Alpha virt. eigenvalues --    1.34002   1.34696   1.35993   1.37314   1.37798
 Alpha virt. eigenvalues --    1.38132   1.39058   1.39307   1.40683   1.42460
 Alpha virt. eigenvalues --    1.43042   1.43298   1.44073   1.44351   1.46558
 Alpha virt. eigenvalues --    1.47022   1.47678   1.48295   1.48924   1.49852
 Alpha virt. eigenvalues --    1.50316   1.51043   1.51395   1.51838   1.52879
 Alpha virt. eigenvalues --    1.53932   1.54536   1.55966   1.56431   1.56617
 Alpha virt. eigenvalues --    1.56877   1.57955   1.59426   1.59916   1.60491
 Alpha virt. eigenvalues --    1.61071   1.62161   1.63196   1.63596   1.64088
 Alpha virt. eigenvalues --    1.65105   1.66056   1.66885   1.67171   1.67633
 Alpha virt. eigenvalues --    1.68784   1.69324   1.69758   1.69974   1.71140
 Alpha virt. eigenvalues --    1.71556   1.73194   1.73664   1.74346   1.74956
 Alpha virt. eigenvalues --    1.76191   1.77116   1.77876   1.78443   1.79396
 Alpha virt. eigenvalues --    1.80873   1.81766   1.82242   1.83314   1.83631
 Alpha virt. eigenvalues --    1.84719   1.85766   1.86760   1.88837   1.89257
 Alpha virt. eigenvalues --    1.89953   1.90474   1.92307   1.92975   1.93966
 Alpha virt. eigenvalues --    1.94145   1.94783   1.95071   1.95507   1.96548
 Alpha virt. eigenvalues --    1.98195   1.99457   1.99971   2.00788   2.02053
 Alpha virt. eigenvalues --    2.02618   2.02861   2.03512   2.03874   2.04750
 Alpha virt. eigenvalues --    2.05799   2.06924   2.07656   2.08002   2.08921
 Alpha virt. eigenvalues --    2.09620   2.10659   2.11555   2.11956   2.13195
 Alpha virt. eigenvalues --    2.13477   2.14963   2.16191   2.16820   2.17726
 Alpha virt. eigenvalues --    2.18399   2.18818   2.20447   2.20704   2.21750
 Alpha virt. eigenvalues --    2.23400   2.25043   2.26004   2.26800   2.27611
 Alpha virt. eigenvalues --    2.28749   2.30156   2.31081   2.32559   2.34260
 Alpha virt. eigenvalues --    2.35494   2.36352   2.37325   2.38834   2.40256
 Alpha virt. eigenvalues --    2.41154   2.42660   2.44000   2.45176   2.46377
 Alpha virt. eigenvalues --    2.46914   2.48104   2.51537   2.53463   2.55027
 Alpha virt. eigenvalues --    2.56714   2.58704   2.59510   2.63026   2.64403
 Alpha virt. eigenvalues --    2.65665   2.66998   2.68764   2.69035   2.71799
 Alpha virt. eigenvalues --    2.74503   2.75690   2.76807   2.78030   2.80567
 Alpha virt. eigenvalues --    2.82485   2.84477   2.86924   2.88426   2.92620
 Alpha virt. eigenvalues --    2.94818   2.97886   3.01096   3.02392   3.06205
 Alpha virt. eigenvalues --    3.10845   3.21724   3.22271   3.32382   3.38085
 Alpha virt. eigenvalues --    3.40771   3.41530   3.42042   3.42901   3.43878
 Alpha virt. eigenvalues --    3.45124   3.47803   3.49802   3.50520   3.53030
 Alpha virt. eigenvalues --    3.53268   3.54461   3.58091   3.62701   3.68642
 Alpha virt. eigenvalues --    3.73653   3.74852   3.81186   3.84550   3.91026
 Alpha virt. eigenvalues --    4.05120   4.40309   4.63623
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   49.168001 -12.161035  -8.509919   1.845885  -2.209205   0.779935
     2  C  -12.161035  47.241328   0.278615  -0.475533   3.665801  -9.288722
     3  C   -8.509919   0.278615  39.946106 -14.407295   0.052594  -3.853530
     4  C    1.845885  -0.475533 -14.407295  28.316848  -9.482477   3.850633
     5  C   -2.209205   3.665801   0.052594  -9.482477  36.119263 -17.806034
     6  C    0.779935  -9.288722  -3.853530   3.850633 -17.806034  38.669103
     7  C  -10.710478  -6.342854  -0.872002  -4.142869   0.073108  -0.577474
     8  H    1.187802  -0.747669  -5.012325   1.295169   0.512510  -0.180649
     9  H    0.025633  -0.662478  -0.191803   1.035697  -3.943252   2.550039
    10  H   -0.820084   0.918671   0.028738  -0.689747   2.835181  -4.299794
    11  C    0.564054  -0.750886  -1.516236  -1.824698  -2.653776  -0.243636
    12  C   -0.015338   0.058033  -0.340477  -0.350890  -0.147202  -0.002617
    13  C    0.060034  -0.059370  -0.707972  -0.011803  -0.214093  -0.007385
    14  H   -0.106909  -0.039952   0.175172  -0.105948   0.033468   0.082383
    15  H    0.047171  -0.002432  -0.004271  -0.622754  -0.068073   0.026010
    16  H   -0.050238  -0.002955   0.334888  -0.397949  -0.055936   0.042507
    17  H   -0.026756   0.019613  -0.149022   0.634407   0.050502  -0.031259
    18  O   -0.012366   0.009947   0.048449   0.005055   0.032902  -0.005717
    19  O   -0.006371   0.016477   0.042949  -0.103232  -0.019231  -0.009743
    20  H    0.008752  -0.051199   0.023410   0.008701  -0.094545   0.062602
    21  C    0.867692 -11.632663  -0.575870   0.516305   0.109798  -0.711802
    22  C  -10.319550  -0.194047  -0.659518   0.142631   0.406136  -0.122731
    23  C   -6.421862  -6.179975  -0.561488   0.110040  -0.981407  -4.788246
    24  O    0.290132  -0.247330   0.006795   0.021675  -0.054772  -0.077209
    25  C   -0.046249   0.009573  -0.028721   0.020513  -0.009036   0.018402
    26  H    2.298781  -0.946357   0.078122   0.331809  -0.011191  -0.076736
    27  H   -0.394045   0.210045  -0.240103   0.007591   0.020460   0.041890
    28  H   -0.456717   1.747203  -0.075442   0.066673   0.161360   0.568843
    29  H   -0.015439  -0.091590  -0.000598  -0.002194   0.001840   0.006936
    30  H   -0.014775  -0.095448   0.000462  -0.001651   0.000800   0.007946
    31  H    0.007710   0.163431  -0.001764   0.003710  -0.004128  -0.010191
               7          8          9         10         11         12
     1  C  -10.710478   1.187802   0.025633  -0.820084   0.564054  -0.015338
     2  C   -6.342854  -0.747669  -0.662478   0.918671  -0.750886   0.058033
     3  C   -0.872002  -5.012325  -0.191803   0.028738  -1.516236  -0.340477
     4  C   -4.142869   1.295169   1.035697  -0.689747  -1.824698  -0.350890
     5  C    0.073108   0.512510  -3.943252   2.835181  -2.653776  -0.147202
     6  C   -0.577474  -0.180649   2.550039  -4.299794  -0.243636  -0.002617
     7  C   49.281946   0.531645   0.116603  -0.336018  -0.070066  -0.014511
     8  H    0.531645   4.916328  -0.063443   0.016817  -0.010908   0.135909
     9  H    0.116603  -0.063443   3.737182  -0.334122  -0.052453   0.032292
    10  H   -0.336018   0.016817  -0.334122   3.467833   0.036485   0.004821
    11  C   -0.070066  -0.010908  -0.052453   0.036485  14.355249   0.232603
    12  C   -0.014511   0.135909   0.032292   0.004821   0.232603   5.061595
    13  C   -0.012064   0.103601   0.021937   0.000791  -0.844704  -0.102179
    14  H    0.011628   0.011035  -0.043816   0.005159  -1.037147   0.109013
    15  H   -0.023961  -0.084783   0.005354   0.000312   0.747252  -0.013091
    16  H   -0.031822  -0.115750   0.001558   0.001051  -0.194628   0.422763
    17  H    0.009879   0.037469   0.001635  -0.000409  -0.140142  -0.060757
    18  O   -0.002591   0.002413  -0.005064   0.000330  -0.080140   0.081161
    19  O   -0.004205  -0.004214  -0.002510   0.000261   0.158136   0.040178
    20  H    0.022651  -0.029671   0.009542  -0.002855   0.018226  -0.031050
    21  C   -7.630991   0.139526  -0.028642   0.131923   0.142605  -0.009262
    22  C    1.106967   0.046775   0.021979   0.186423  -0.013014   0.008254
    23  C  -10.977180  -0.097748  -0.154765   1.024073  -0.403949   0.004509
    24  O   -0.131445  -0.000748   0.000053  -0.007904   0.000300  -0.000020
    25  C   -0.032801  -0.000678  -0.000118  -0.000584   0.001173   0.000021
    26  H   -4.509199  -0.360717   0.006519  -0.001675   0.059930  -0.007936
    27  H    0.700500   0.026362  -0.002413   0.003670  -0.000906  -0.000007
    28  H    0.259971   0.002380   0.001349  -0.205585   0.003762  -0.000646
    29  H    0.096652  -0.000388   0.000113  -0.000869  -0.000008  -0.000010
    30  H    0.098719  -0.000844   0.000115  -0.000942  -0.000096   0.000001
    31  H   -0.076971  -0.000089  -0.000118   0.001742   0.000164   0.000011
              13         14         15         16         17         18
     1  C    0.060034  -0.106909   0.047171  -0.050238  -0.026756  -0.012366
     2  C   -0.059370  -0.039952  -0.002432  -0.002955   0.019613   0.009947
     3  C   -0.707972   0.175172  -0.004271   0.334888  -0.149022   0.048449
     4  C   -0.011803  -0.105948  -0.622754  -0.397949   0.634407   0.005055
     5  C   -0.214093   0.033468  -0.068073  -0.055936   0.050502   0.032902
     6  C   -0.007385   0.082383   0.026010   0.042507  -0.031259  -0.005717
     7  C   -0.012064   0.011628  -0.023961  -0.031822   0.009879  -0.002591
     8  H    0.103601   0.011035  -0.084783  -0.115750   0.037469   0.002413
     9  H    0.021937  -0.043816   0.005354   0.001558   0.001635  -0.005064
    10  H    0.000791   0.005159   0.000312   0.001051  -0.000409   0.000330
    11  C   -0.844704  -1.037147   0.747252  -0.194628  -0.140142  -0.080140
    12  C   -0.102179   0.109013  -0.013091   0.422763  -0.060757   0.081161
    13  C    7.505323   0.052697   0.064096  -0.059054   0.000997  -0.009377
    14  H    0.052697   2.149968  -0.023839   0.119136  -0.078879   0.065870
    15  H    0.064096  -0.023839   1.856298  -0.236249  -0.465673  -0.001298
    16  H   -0.059054   0.119136  -0.236249   1.649119  -0.484683   0.021461
    17  H    0.000997  -0.078879  -0.465673  -0.484683   1.999872  -0.002940
    18  O   -0.009377   0.065870  -0.001298   0.021461  -0.002940   8.425151
    19  O   -0.387520   0.037771   0.001889   0.045157  -0.021599  -0.061686
    20  H   -0.010575   0.000487   0.003921  -0.001007  -0.000006   0.007218
    21  C    0.012533   0.005279  -0.010398  -0.000333   0.002806  -0.000362
    22  C    0.004281  -0.001462   0.002989  -0.001870  -0.000394  -0.000164
    23  C   -0.042424  -0.016004  -0.002177  -0.001110   0.001350   0.002474
    24  O   -0.000095  -0.000020   0.000021   0.000077  -0.000014   0.000000
    25  C    0.000065   0.000040   0.000061   0.000027  -0.000007  -0.000001
    26  H   -0.000128  -0.001666   0.005305   0.002814  -0.000821  -0.000252
    27  H   -0.000654  -0.000030  -0.000318  -0.000258   0.000113   0.000033
    28  H    0.000606   0.000336  -0.000301  -0.000444   0.000202   0.000003
    29  H    0.000027  -0.000001   0.000007  -0.000007  -0.000002  -0.000000
    30  H    0.000041  -0.000003   0.000002  -0.000004   0.000001  -0.000000
    31  H    0.000001   0.000004   0.000007   0.000009  -0.000000  -0.000000
              19         20         21         22         23         24
     1  C   -0.006371   0.008752   0.867692 -10.319550  -6.421862   0.290132
     2  C    0.016477  -0.051199 -11.632663  -0.194047  -6.179975  -0.247330
     3  C    0.042949   0.023410  -0.575870  -0.659518  -0.561488   0.006795
     4  C   -0.103232   0.008701   0.516305   0.142631   0.110040   0.021675
     5  C   -0.019231  -0.094545   0.109798   0.406136  -0.981407  -0.054772
     6  C   -0.009743   0.062602  -0.711802  -0.122731  -4.788246  -0.077209
     7  C   -0.004205   0.022651  -7.630991   1.106967 -10.977180  -0.131445
     8  H   -0.004214  -0.029671   0.139526   0.046775  -0.097748  -0.000748
     9  H   -0.002510   0.009542  -0.028642   0.021979  -0.154765   0.000053
    10  H    0.000261  -0.002855   0.131923   0.186423   1.024073  -0.007904
    11  C    0.158136   0.018226   0.142605  -0.013014  -0.403949   0.000300
    12  C    0.040178  -0.031050  -0.009262   0.008254   0.004509  -0.000020
    13  C   -0.387520  -0.010575   0.012533   0.004281  -0.042424  -0.000095
    14  H    0.037771   0.000487   0.005279  -0.001462  -0.016004  -0.000020
    15  H    0.001889   0.003921  -0.010398   0.002989  -0.002177   0.000021
    16  H    0.045157  -0.001007  -0.000333  -0.001870  -0.001110   0.000077
    17  H   -0.021599  -0.000006   0.002806  -0.000394   0.001350  -0.000014
    18  O   -0.061686   0.007218  -0.000362  -0.000164   0.002474   0.000000
    19  O    8.506231   0.142115  -0.003864   0.002699  -0.005153  -0.000013
    20  H    0.142115   0.749079  -0.001903   0.003613  -0.017579   0.000013
    21  C   -0.003864  -0.001903  27.218265  -3.969038   1.338646   1.029630
    22  C    0.002699   0.003613  -3.969038  23.585178  -4.209284  -1.386929
    23  C   -0.005153  -0.017579   1.338646  -4.209284  41.609839   0.213671
    24  O   -0.000013   0.000013   1.029630  -1.386929   0.213671   9.291419
    25  C    0.000014   0.000070   0.015175   0.050667  -0.154226   0.139965
    26  H    0.000141   0.001192   2.066460  -0.485094   0.202817   0.006841
    27  H   -0.000056  -0.000291  -2.936851   1.131171   0.067869  -0.170419
    28  H   -0.000120   0.000468  -0.367491   0.715608  -3.570474  -0.138720
    29  H    0.000003   0.000026   0.124870  -0.386792   0.157385   0.154468
    30  H    0.000000   0.000020   0.141086  -0.406759   0.158820   0.158519
    31  H    0.000002   0.000004  -0.289371   0.876670  -0.367823  -0.554111
              25         26         27         28         29         30
     1  C   -0.046249   2.298781  -0.394045  -0.456717  -0.015439  -0.014775
     2  C    0.009573  -0.946357   0.210045   1.747203  -0.091590  -0.095448
     3  C   -0.028721   0.078122  -0.240103  -0.075442  -0.000598   0.000462
     4  C    0.020513   0.331809   0.007591   0.066673  -0.002194  -0.001651
     5  C   -0.009036  -0.011191   0.020460   0.161360   0.001840   0.000800
     6  C    0.018402  -0.076736   0.041890   0.568843   0.006936   0.007946
     7  C   -0.032801  -4.509199   0.700500   0.259971   0.096652   0.098719
     8  H   -0.000678  -0.360717   0.026362   0.002380  -0.000388  -0.000844
     9  H   -0.000118   0.006519  -0.002413   0.001349   0.000113   0.000115
    10  H   -0.000584  -0.001675   0.003670  -0.205585  -0.000869  -0.000942
    11  C    0.001173   0.059930  -0.000906   0.003762  -0.000008  -0.000096
    12  C    0.000021  -0.007936  -0.000007  -0.000646  -0.000010   0.000001
    13  C    0.000065  -0.000128  -0.000654   0.000606   0.000027   0.000041
    14  H    0.000040  -0.001666  -0.000030   0.000336  -0.000001  -0.000003
    15  H    0.000061   0.005305  -0.000318  -0.000301   0.000007   0.000002
    16  H    0.000027   0.002814  -0.000258  -0.000444  -0.000007  -0.000004
    17  H   -0.000007  -0.000821   0.000113   0.000202  -0.000002   0.000001
    18  O   -0.000001  -0.000252   0.000033   0.000003  -0.000000  -0.000000
    19  O    0.000014   0.000141  -0.000056  -0.000120   0.000003   0.000000
    20  H    0.000070   0.001192  -0.000291   0.000468   0.000026   0.000020
    21  C    0.015175   2.066460  -2.936851  -0.367491   0.124870   0.141086
    22  C    0.050667  -0.485094   1.131171   0.715608  -0.386792  -0.406759
    23  C   -0.154226   0.202817   0.067869  -3.570474   0.157385   0.158820
    24  O    0.139965   0.006841  -0.170419  -0.138720   0.154468   0.158519
    25  C    4.239139   0.018842  -0.082622   0.041812   0.354415   0.359003
    26  H    0.018842   3.762554  -0.399668   0.012825   0.005666   0.007107
    27  H   -0.082622  -0.399668   4.361191  -0.045785  -0.078039  -0.085474
    28  H    0.041812   0.012825  -0.045785   3.237709   0.012653   0.011826
    29  H    0.354415   0.005666  -0.078039   0.012653   1.427737  -0.114608
    30  H    0.359003   0.007107  -0.085474   0.011826  -0.114608   1.426314
    31  H    0.137728  -0.002198   0.044553  -0.018416  -0.539791  -0.540067
              31
     1  C    0.007710
     2  C    0.163431
     3  C   -0.001764
     4  C    0.003710
     5  C   -0.004128
     6  C   -0.010191
     7  C   -0.076971
     8  H   -0.000089
     9  H   -0.000118
    10  H    0.001742
    11  C    0.000164
    12  C    0.000011
    13  C    0.000001
    14  H    0.000004
    15  H    0.000007
    16  H    0.000009
    17  H   -0.000000
    18  O   -0.000000
    19  O    0.000002
    20  H    0.000004
    21  C   -0.289371
    22  C    0.876670
    23  C   -0.367823
    24  O   -0.554111
    25  C    0.137728
    26  H   -0.002198
    27  H    0.044553
    28  H   -0.018416
    29  H   -0.539791
    30  H   -0.540067
    31  H    2.658005
 Mulliken charges:
               1
     1  C    1.145757
     2  C    1.633761
     3  C    2.692057
     4  C    0.405701
     5  C   -0.321363
     6  C    1.386248
     7  C    0.189233
     8  H   -1.255115
     9  H   -1.082602
    10  H   -0.963695
    11  C   -0.482547
    12  C    0.904831
    13  C    0.642365
    14  H   -0.403772
    15  H   -0.201078
    16  H   -0.006268
    17  H   -0.295483
    18  O   -0.520508
    19  O   -0.364508
    20  H    0.178570
    21  C    0.306240
    22  C   -0.135394
    23  C    0.061383
    24  O   -0.543829
    25  C    0.948335
    26  H   -1.064084
    27  H   -1.177510
    28  H   -0.965447
    29  H   -0.112460
    30  H   -0.110108
    31  H   -0.488712
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.145757
     2  C    1.633761
     3  C    1.436941
     4  C    0.405701
     5  C   -1.403965
     6  C    0.422553
     7  C   -0.874851
    11  C   -0.886318
    12  C    0.402002
    13  C    0.642365
    18  O   -0.520508
    19  O   -0.185938
    21  C   -0.871271
    22  C   -0.135394
    23  C   -0.904064
    24  O   -0.543829
    25  C    0.237056
 Electronic spatial extent (au):  <R**2>=           5530.2236
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.8351    Y=             -2.0273    Z=             -1.7056  Tot=              6.4084
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -111.4360   YY=            -91.8149   ZZ=           -105.8679
   XY=              1.6696   XZ=            -13.2343   YZ=             -2.2288
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.3964   YY=             11.2247   ZZ=             -2.8283
   XY=              1.6696   XZ=            -13.2343   YZ=             -2.2288
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -263.3417  YYY=              6.0014  ZZZ=              5.2537  XYY=              1.6239
  XXY=            -52.2505  XXZ=            -35.7241  XZZ=             -5.1737  YZZ=             -1.6224
  YYZ=              0.1444  XYZ=             -0.2154
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6324.6202 YYYY=           -729.5959 ZZZZ=           -429.8541 XXXY=             32.3247
 XXXZ=           -286.9728 YYYX=              1.8932 YYYZ=            -13.3182 ZZZX=            -12.9921
 ZZZY=              4.8518 XXYY=          -1117.0705 XXZZ=          -1145.4252 YYZZ=           -209.2796
 XXYZ=            -24.0984 YYXZ=              2.0689 ZZXY=             -2.7867
 N-N= 1.134204831116D+03 E-N=-4.054528234428D+03  KE= 7.620986254448D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Tue Aug 17 00:27:37 2021, MaxMem=  5637144576 cpu:               3.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.30105515D+00-7.98510625D-01-6.74119362D-01
 Polarizability= 2.81298851D+02 1.06827401D+01 1.60190490D+02
                -1.41450210D+01-4.67206677D+00 1.10313295D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        7.9908    7.9903        7.0972    7.0951
 2     -7.9908   -7.9903        2.6748    2.6748      -70.9097  -70.9057
 3     -7.0972   -7.0951       98.3406   98.3381       -2.6766   -2.6748
 4     -2.6748   -2.6748        0.0000    0.0000       -7.0979   -7.0951
 5    -27.4309  -27.4324        7.0979    7.0951        7.9898    7.9903
 6      2.6766    2.6748       -7.9898   -7.9903        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -23.9708  -23.9708       21.2853   21.2853
 2     -8.0243   -8.0243       -0.0000    0.0000       21.2853   21.2853
 3     -8.0243   -8.0243      -23.9708  -23.9708       -0.0000    0.0000
 4    -23.9708  -23.9708        8.0243    8.0243     -212.7170 -212.7170
 5    -21.2853  -21.2853      295.0142  295.0142       -8.0243   -8.0243
 6    -82.2971  -82.2971       21.2853   21.2853       23.9708   23.9708
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0037    0.0000      -31.8077  -31.9610      -28.5575  -28.3804
 2     31.8997   31.9610      -10.7114  -10.6991      283.3932  283.6227
 3     28.4532   28.3804     -393.4704 -393.3522       10.6801   10.6991
 4     10.6961   10.6991        0.0268    0.0000       28.3879   28.3804
 5    109.7618  109.7295      -28.3983  -28.3804      -31.9071  -31.9610
 6    -10.7109  -10.6991       31.9541   31.9610       -0.0349    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0017    0.0000       56.9348   56.9498      -52.8414  -52.8897
 2    -57.0964  -56.9498       70.7369   70.7114      -12.4442  -12.3684
 3     52.8422   52.8897      -64.7928  -64.7860      -70.8096  -70.7114
 4    -70.8145  -70.7114       -0.1181    0.0000       52.9159   52.8897
 5     77.1962   77.1544      -52.9121  -52.8897       56.8344   56.9498
 6     70.8089   70.7114      -56.8633  -56.9498       -0.0796    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.6575  -18.7551       23.7203   23.7005       97.9407   97.8847
 2   -159.8589 -159.8721       66.6547   66.7509       98.0361   97.8847
 3   -159.8874 -159.8721       23.5633   23.7005      139.8048  139.7009
 4    -43.1586  -43.0505      141.1317  141.1170      -49.1771  -49.2191
 5     41.8314   41.8162      -73.9357  -74.0886     -140.9642 -141.1170
 6    123.3227  123.3077      -41.9413  -41.8162       43.0156   43.0505
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.1378   -0.0008   -0.0003    0.0002    0.7352    3.6300
 Low frequencies ---   23.0411   39.2424   46.1715
 Diagonal vibrational polarizability:
       38.1128795     165.5821799      49.1479423
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     23.0249                39.2329                46.1706
 Red. masses --      4.7650                 6.3482                 5.7964
 Frc consts  --      0.0015                 0.0058                 0.0073
 IR Inten    --      2.5808                 2.3412                 0.9175
 RamAct Fr= 1--      4.5486                 1.2313                 2.6680
  Dep-P Fr= 1--      0.7500                 0.7110                 0.7488
  Dep-U Fr= 1--      0.8571                 0.8311                 0.8563
 Alpha2 Fr= 1--      0.0000                 0.0008                 0.0001
 Beta2  Fr= 1--      0.6498                 0.1706                 0.3808
 AlphaG Fr= 1--     -0.0001                -0.0142                 0.0025
 Gamma2 Fr= 1--     -4.0238                 2.1317                -1.2431
 Delta2 Fr= 1--     -2.2153                 0.9680                 0.0963
 Raman1 Fr= 1--      18.194                  4.925                 10.672
 ROA1   Fr= 1--    -457.178                235.616               -116.257
 CID1   Fr= 1--     -25.128                 47.840                -10.893
 Raman2 Fr= 1--       7.797                  2.047                  4.570
 ROA2   Fr= 1--     -78.850                 43.416                -30.604
 CID2   Fr= 1--     -10.112                 21.213                 -6.697
 Raman3 Fr= 1--      15.595                  4.093                  9.139
 ROA3   Fr= 1--    -457.178                235.616               -116.257
 CID3   Fr= 1--     -29.317                 57.563                -12.721
 RC180  Fr= 1--       0.714                  0.662                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.03     0.01  -0.02  -0.12    -0.00  -0.03  -0.14
     2   6     0.01  -0.02   0.08     0.02  -0.01  -0.09     0.01  -0.01  -0.04
     3   6    -0.03  -0.06  -0.05     0.01  -0.02  -0.12    -0.00  -0.03  -0.14
     4   6    -0.01  -0.07   0.03     0.02  -0.02  -0.09     0.01  -0.02  -0.05
     5   6     0.03  -0.05   0.14     0.03  -0.02  -0.09     0.02  -0.01   0.01
     6   6     0.04  -0.02   0.17     0.03  -0.02  -0.10     0.02  -0.01   0.02
     7   6    -0.05  -0.03  -0.13     0.01  -0.01  -0.10    -0.01  -0.03  -0.20
     8   1    -0.06  -0.08  -0.13     0.00  -0.03  -0.13    -0.01  -0.03  -0.19
     9   1     0.05  -0.06   0.20     0.03  -0.03  -0.07     0.02  -0.00   0.07
    10   1     0.06  -0.01   0.25     0.03  -0.01  -0.09     0.03  -0.00   0.09
    11   6    -0.01  -0.09  -0.01     0.02  -0.01   0.00     0.01  -0.02   0.02
    12   6    -0.03  -0.15   0.18     0.07  -0.03   0.08     0.04  -0.02   0.06
    13   6     0.04   0.09  -0.07    -0.09   0.03   0.06    -0.04   0.02   0.04
    14   1    -0.04  -0.18  -0.12     0.07  -0.03   0.02     0.04  -0.03   0.02
    15   1    -0.07  -0.29   0.22     0.13  -0.07   0.06     0.10  -0.04   0.03
    16   1    -0.00  -0.05   0.30     0.03  -0.01   0.09     0.01  -0.01   0.05
    17   1    -0.04  -0.17   0.14     0.08  -0.02   0.15     0.05  -0.02   0.12
    18   8     0.01   0.23  -0.15    -0.15   0.29   0.15     0.01  -0.21   0.09
    19   8     0.11   0.08  -0.03    -0.12  -0.27   0.01    -0.14   0.34   0.01
    20   1     0.11  -0.03   0.03    -0.08  -0.40  -0.06    -0.15   0.43  -0.04
    21   6    -0.05  -0.01  -0.11     0.02   0.01  -0.04    -0.00  -0.02  -0.13
    22   6    -0.01   0.01  -0.00     0.03   0.02   0.01     0.01  -0.01   0.00
    23   6     0.02   0.01   0.10     0.03   0.00  -0.03     0.02  -0.01   0.03
    24   8    -0.00   0.04   0.02     0.04   0.03   0.09     0.03   0.00   0.11
    25   6    -0.03   0.04  -0.09     0.06   0.06   0.25     0.04   0.01   0.20
    26   1    -0.08  -0.05  -0.21    -0.00  -0.01  -0.13    -0.02  -0.04  -0.29
    27   1    -0.07  -0.00  -0.19     0.01   0.02  -0.02    -0.01  -0.03  -0.17
    28   1     0.04   0.02   0.18     0.04   0.01  -0.00     0.03   0.00   0.12
    29   1    -0.06  -0.05  -0.14     0.17   0.09   0.24     0.15  -0.02   0.16
    30   1    -0.04   0.12  -0.16    -0.06   0.03   0.28    -0.08   0.04   0.19
    31   1    -0.02   0.06  -0.06     0.07   0.08   0.35     0.06   0.02   0.34
                      4                      5                      6
                      A                      A                      A
 Frequencies --     75.0206               126.3846               135.3375
 Red. masses --      3.8525                 4.8461                 4.1046
 Frc consts  --      0.0128                 0.0456                 0.0443
 IR Inten    --      4.7790                 0.0247                 0.3415
 RamAct Fr= 1--      0.6519                 1.0039                 1.8402
  Dep-P Fr= 1--      0.6854                 0.7469                 0.3578
  Dep-U Fr= 1--      0.8134                 0.8551                 0.5270
 Alpha2 Fr= 1--      0.0007                 0.0001                 0.0157
 Beta2  Fr= 1--      0.0884                 0.1431                 0.1616
 AlphaG Fr= 1--      0.0134                -0.0028                -0.0300
 Gamma2 Fr= 1--      0.2442                 1.4005                -1.3785
 Delta2 Fr= 1--     -0.1426                 0.6795                -0.6867
 Raman1 Fr= 1--       2.608                  4.016                  7.361
 ROA1   Fr= 1--      18.877                156.188               -154.313
 CID1   Fr= 1--       7.239                 38.894                -20.965
 Raman2 Fr= 1--       1.061                  1.717                  1.940
 ROA2   Fr= 1--       7.001                 28.175                -27.591
 CID2   Fr= 1--       6.602                 16.410                -14.225
 Raman3 Fr= 1--       2.121                  3.434                  3.879
 ROA3   Fr= 1--      18.877                156.188               -154.313
 CID3   Fr= 1--       8.900                 45.484                -39.780
 RC180  Fr= 1--       0.627                  0.710                  0.054
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00    -0.02   0.07  -0.09    -0.03  -0.10  -0.03
     2   6    -0.03   0.00  -0.03    -0.05   0.06  -0.13    -0.03  -0.09  -0.07
     3   6    -0.01   0.02   0.06    -0.01   0.09   0.01    -0.01  -0.09   0.05
     4   6    -0.01   0.02   0.09    -0.00   0.09   0.05    -0.01  -0.07   0.08
     5   6    -0.01   0.02   0.10    -0.03   0.07  -0.06    -0.03  -0.08  -0.01
     6   6    -0.02   0.01   0.03    -0.05   0.06  -0.16    -0.04  -0.09  -0.09
     7   6    -0.02   0.00  -0.04     0.01   0.04  -0.11    -0.08  -0.06  -0.05
     8   1    -0.01   0.02   0.06    -0.02   0.10   0.06     0.01  -0.08   0.09
     9   1    -0.01   0.03   0.14    -0.04   0.08  -0.08    -0.04  -0.08  -0.01
    10   1    -0.02   0.01   0.03    -0.05   0.05  -0.24    -0.05  -0.10  -0.14
    11   6    -0.01   0.02   0.04    -0.01   0.01   0.07     0.02   0.05   0.06
    12   6    -0.04   0.02   0.00    -0.14  -0.06   0.16     0.15   0.15  -0.12
    13   6     0.07  -0.01   0.00     0.07  -0.03   0.03     0.06   0.03   0.05
    14   1    -0.04   0.02   0.03     0.03  -0.07   0.03    -0.07   0.16   0.12
    15   1    -0.10   0.04   0.03    -0.22  -0.11   0.22     0.21   0.25  -0.17
    16   1    -0.01   0.01   0.01    -0.13   0.03   0.26     0.18   0.02  -0.24
    17   1    -0.05   0.01  -0.05    -0.15  -0.14   0.09     0.16   0.26  -0.08
    18   8     0.07  -0.01  -0.06     0.08  -0.07  -0.04     0.06   0.04  -0.01
    19   8     0.14  -0.04   0.04     0.15  -0.08   0.08     0.12   0.03   0.08
    20   1     0.12  -0.03   0.09     0.13  -0.03   0.13     0.11   0.00   0.12
    21   6    -0.03  -0.01  -0.10     0.01   0.01  -0.06    -0.08  -0.02  -0.04
    22   6    -0.04  -0.02  -0.13    -0.01   0.00   0.02    -0.04  -0.01   0.01
    23   6    -0.04  -0.01  -0.11    -0.06   0.03  -0.08    -0.01  -0.05  -0.06
    24   8    -0.05  -0.03  -0.20    -0.01  -0.04   0.23     0.00   0.09   0.14
    25   6     0.01   0.02   0.27     0.02  -0.13  -0.03    -0.10   0.16  -0.03
    26   1    -0.02   0.00  -0.02     0.04   0.05  -0.13    -0.12  -0.08  -0.05
    27   1    -0.03  -0.02  -0.13     0.04  -0.01  -0.05    -0.10  -0.00  -0.03
    28   1    -0.04  -0.01  -0.13    -0.09   0.02  -0.06     0.03  -0.04  -0.06
    29   1     0.24   0.26   0.36     0.02  -0.38  -0.17    -0.16  -0.02  -0.11
    30   1    -0.18  -0.19   0.46     0.05   0.09  -0.22    -0.17   0.30  -0.15
    31   1     0.02   0.03   0.35     0.00  -0.18   0.10    -0.04   0.25   0.06
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.6031               216.1434               224.7308
 Red. masses --      3.2054                 2.6259                 2.9879
 Frc consts  --      0.0630                 0.0723                 0.0889
 IR Inten    --      1.0684                 1.2850                 3.6357
 RamAct Fr= 1--      0.0711                 3.7645                 0.5434
  Dep-P Fr= 1--      0.7433                 0.4047                 0.6998
  Dep-U Fr= 1--      0.8527                 0.5762                 0.8234
 Alpha2 Fr= 1--      0.0000                 0.0274                 0.0005
 Beta2  Fr= 1--      0.0101                 0.3615                 0.0746
 AlphaG Fr= 1--      0.0002                -0.0580                -0.0063
 Gamma2 Fr= 1--      0.1099                -1.3122                -0.6036
 Delta2 Fr= 1--     -0.0168                -0.3510                -0.1985
 Raman1 Fr= 1--       0.284                 15.058                  2.174
 ROA1   Fr= 1--      10.009               -137.202                -64.300
 CID1   Fr= 1--      35.183                 -9.112                -29.582
 Raman2 Fr= 1--       0.121                  4.338                  0.895
 ROA2   Fr= 1--       2.771                -28.684                -12.900
 CID2   Fr= 1--      22.845                 -6.612                -14.415
 Raman3 Fr= 1--       0.243                  8.677                  1.790
 ROA3   Fr= 1--      10.009               -137.202                -64.300
 CID3   Fr= 1--      41.259                -15.812                -35.926
 RC180  Fr= 1--       0.705                  0.152                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.15    -0.02   0.00  -0.05     0.05  -0.05   0.00
     2   6    -0.02  -0.02  -0.13    -0.03   0.01   0.05     0.02  -0.06   0.00
     3   6    -0.02  -0.02  -0.19    -0.01   0.01  -0.10     0.06   0.04  -0.01
     4   6    -0.00   0.00   0.00    -0.00   0.02  -0.07     0.00   0.10  -0.01
     5   6     0.02   0.02   0.20    -0.04   0.01  -0.11    -0.04   0.08   0.00
     6   6     0.00   0.01   0.06    -0.04   0.00  -0.04    -0.05   0.00   0.01
     7   6     0.00   0.01   0.05    -0.02   0.00  -0.04     0.07  -0.08   0.00
     8   1    -0.04  -0.03  -0.29    -0.01   0.01  -0.11     0.13   0.06  -0.02
     9   1     0.04   0.05   0.42    -0.06   0.01  -0.18    -0.07   0.12   0.00
    10   1     0.01   0.02   0.17    -0.04  -0.00  -0.04    -0.13  -0.02   0.02
    11   6     0.00   0.00   0.01     0.02   0.05   0.01    -0.01   0.08  -0.02
    12   6     0.01   0.00   0.01     0.12   0.03   0.12    -0.12   0.02   0.08
    13   6     0.01   0.00   0.00     0.04   0.01   0.01    -0.01   0.02  -0.02
    14   1     0.00   0.00   0.01     0.04   0.03   0.00     0.02   0.03  -0.06
    15   1     0.02  -0.01   0.01     0.22  -0.07   0.10    -0.39  -0.14   0.25
    16   1     0.01   0.01   0.02     0.10   0.07   0.16     0.09   0.13   0.29
    17   1     0.01   0.01   0.02     0.14   0.08   0.23    -0.15   0.00  -0.20
    18   8     0.01  -0.01  -0.00     0.06  -0.06  -0.01     0.01  -0.04   0.01
    19   8     0.02   0.00   0.01     0.07  -0.05   0.02    -0.03  -0.03  -0.04
    20   1     0.02  -0.00   0.01     0.06   0.00   0.03    -0.03   0.03  -0.07
    21   6     0.02   0.02   0.21    -0.02  -0.00   0.03     0.05  -0.11   0.00
    22   6    -0.00   0.00   0.02    -0.03  -0.00   0.07     0.04  -0.11   0.00
    23   6    -0.03  -0.02  -0.16    -0.02   0.01   0.16     0.03  -0.11  -0.00
    24   8    -0.00   0.00   0.03    -0.05  -0.01  -0.07     0.08   0.01  -0.01
    25   6    -0.01   0.00  -0.02    -0.07   0.02   0.01    -0.09   0.20  -0.01
    26   1     0.01   0.02   0.15    -0.03  -0.00  -0.09     0.09  -0.07   0.00
    27   1     0.05   0.05   0.45    -0.02  -0.01   0.03     0.04  -0.12   0.00
    28   1    -0.03  -0.03  -0.24    -0.02   0.01   0.21    -0.00  -0.12   0.00
    29   1    -0.18   0.16   0.10    -0.27   0.34   0.23    -0.19   0.16  -0.01
    30   1     0.18  -0.13   0.09     0.16  -0.26   0.24    -0.23   0.21  -0.01
    31   1    -0.04  -0.02  -0.29    -0.10  -0.00  -0.41     0.01   0.38  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    241.8139               260.2717               278.4455
 Red. masses --      1.6769                 1.2135                 2.2803
 Frc consts  --      0.0578                 0.0484                 0.1042
 IR Inten    --      0.7691                 1.0767                 2.7400
 RamAct Fr= 1--      1.8194                 0.4779                 1.3094
  Dep-P Fr= 1--      0.4560                 0.3237                 0.7271
  Dep-U Fr= 1--      0.6264                 0.4891                 0.8420
 Alpha2 Fr= 1--      0.0109                 0.0046                 0.0005
 Beta2  Fr= 1--      0.1899                 0.0390                 0.1837
 AlphaG Fr= 1--     -0.0441                 0.0124                 0.0091
 Gamma2 Fr= 1--      1.1059                 0.1220                 1.5723
 Delta2 Fr= 1--      0.1046                 0.1463                 0.3172
 Raman1 Fr= 1--       7.278                  1.912                  5.237
 ROA1   Fr= 1--     109.511                 16.397                161.090
 CID1   Fr= 1--      15.048                  8.578                 30.757
 Raman2 Fr= 1--       2.279                  0.468                  2.205
 ROA2   Fr= 1--      25.704                  1.759                 35.198
 CID2   Fr= 1--      11.277                  3.762                 15.964
 Raman3 Fr= 1--       4.558                  0.935                  4.410
 ROA3   Fr= 1--     109.511                 16.397                161.090
 CID3   Fr= 1--      24.024                 17.536                 36.531
 RC180  Fr= 1--       0.253                 -0.022                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.02    -0.01  -0.00   0.01     0.01   0.02   0.08
     2   6    -0.02   0.01   0.01    -0.00   0.00  -0.01    -0.01   0.01  -0.01
     3   6    -0.00   0.01  -0.03    -0.00  -0.02   0.04     0.02   0.03   0.13
     4   6     0.00   0.00  -0.04    -0.00  -0.02   0.02     0.01   0.02   0.02
     5   6    -0.01   0.01   0.02     0.00  -0.02   0.01     0.00   0.02   0.05
     6   6    -0.01   0.01   0.04     0.01  -0.01   0.00     0.00   0.01   0.05
     7   6    -0.01   0.02   0.06    -0.02   0.01  -0.01     0.01   0.00  -0.01
     8   1    -0.01   0.00  -0.04     0.00  -0.02   0.06     0.03   0.03   0.18
     9   1    -0.01   0.02   0.04     0.01  -0.03   0.01    -0.00   0.03   0.06
    10   1     0.00   0.01   0.07     0.02  -0.01  -0.01     0.00   0.02   0.06
    11   6     0.02   0.03  -0.04    -0.00   0.01  -0.01     0.01   0.01  -0.05
    12   6     0.14   0.01   0.09     0.05   0.02   0.00     0.08  -0.01   0.06
    13   6     0.01   0.01  -0.03    -0.01   0.01  -0.01    -0.01   0.01  -0.06
    14   1     0.01   0.01  -0.06    -0.04   0.03  -0.02    -0.01  -0.01  -0.08
    15   1     0.18  -0.14   0.10    -0.35  -0.21   0.26     0.39  -0.00  -0.10
    16   1     0.19   0.06   0.17     0.54   0.05   0.26    -0.19   0.01  -0.03
    17   1     0.15   0.11   0.13     0.01   0.22  -0.49     0.12  -0.05   0.43
    18   8     0.02  -0.05  -0.01    -0.00  -0.01   0.01    -0.00  -0.03  -0.02
    19   8    -0.01  -0.04  -0.06    -0.03  -0.01  -0.03    -0.06  -0.03  -0.10
    20   1    -0.01   0.00  -0.08    -0.03   0.01  -0.05    -0.05   0.01  -0.15
    21   6    -0.01   0.01   0.03    -0.02   0.03  -0.03    -0.01  -0.02  -0.10
    22   6    -0.03   0.00  -0.02    -0.01   0.03  -0.01    -0.01  -0.02  -0.06
    23   6    -0.03   0.00  -0.03    -0.00   0.02  -0.02    -0.02  -0.02  -0.12
    24   8    -0.04  -0.01  -0.02    -0.01   0.01   0.03     0.01   0.00   0.11
    25   6    -0.03  -0.01   0.00     0.03  -0.04   0.00    -0.03   0.01   0.01
    26   1    -0.01   0.02   0.09    -0.04   0.00  -0.02     0.02   0.01  -0.01
    27   1    -0.01   0.01   0.02    -0.02   0.03  -0.03    -0.00  -0.03  -0.12
    28   1    -0.03   0.00  -0.06     0.02   0.03  -0.03    -0.04  -0.02  -0.14
    29   1     0.24  -0.33  -0.23    -0.03   0.06   0.07    -0.28   0.21   0.17
    30   1    -0.36   0.26  -0.23     0.18  -0.11   0.06     0.23  -0.15   0.15
    31   1     0.03   0.04   0.50    -0.01  -0.10  -0.15    -0.06  -0.00  -0.37
                     13                     14                     15
                      A                      A                      A
 Frequencies --    310.4011               346.1441               390.2970
 Red. masses --      4.8215                 4.1969                 5.1554
 Frc consts  --      0.2737                 0.2963                 0.4627
 IR Inten    --      4.9110                 5.1688                 2.0464
 RamAct Fr= 1--     17.1230                 2.2649                 0.8363
  Dep-P Fr= 1--      0.1773                 0.7387                 0.4564
  Dep-U Fr= 1--      0.3012                 0.8497                 0.6268
 Alpha2 Fr= 1--      0.2468                 0.0004                 0.0050
 Beta2  Fr= 1--      0.8596                 0.3207                 0.0874
 AlphaG Fr= 1--      0.1651                 0.0103                 0.0484
 Gamma2 Fr= 1--      2.6989                -3.3349                -0.3026
 Delta2 Fr= 1--      0.6648                -0.9581                -0.1590
 Raman1 Fr= 1--      68.492                  9.060                  3.345
 ROA1   Fr= 1--     280.363               -350.812                -34.140
 CID1   Fr= 1--       4.093                -38.723                -10.206
 Raman2 Fr= 1--      10.316                  3.849                  1.048
 ROA2   Fr= 1--      59.455                -72.374                 -5.990
 CID2   Fr= 1--       5.764                -18.804                 -5.714
 Raman3 Fr= 1--      20.631                  7.698                  2.097
 ROA3   Fr= 1--     280.363               -350.812                -34.140
 CID3   Fr= 1--      13.589                -45.573                -16.283
 RC180  Fr= 1--      -0.398                  0.699                  0.254
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.08   0.00    -0.01  -0.12  -0.01    -0.03   0.05  -0.09
     2   6     0.03  -0.07   0.00    -0.01  -0.12   0.00    -0.01   0.05  -0.13
     3   6    -0.04  -0.06   0.00     0.04  -0.05  -0.00    -0.03   0.00   0.12
     4   6    -0.11   0.01   0.02     0.03   0.01   0.03    -0.00  -0.02   0.27
     5   6    -0.07   0.01   0.01    -0.04  -0.02   0.02     0.04  -0.01   0.20
     6   6    -0.05  -0.02   0.00    -0.05  -0.10  -0.02     0.01   0.02  -0.25
     7   6    -0.02  -0.07   0.01    -0.10  -0.05   0.00     0.02   0.01  -0.11
     8   1     0.03  -0.04  -0.01     0.07  -0.04  -0.02    -0.08  -0.01   0.10
     9   1    -0.05  -0.01   0.00    -0.08   0.02   0.03     0.10  -0.04   0.30
    10   1    -0.12  -0.04   0.01    -0.12  -0.12  -0.04     0.03   0.01  -0.46
    11   6    -0.15   0.10   0.03     0.08   0.11  -0.04    -0.03  -0.02   0.03
    12   6     0.00   0.14   0.13    -0.14   0.05   0.04     0.05   0.01   0.02
    13   6    -0.14   0.03  -0.02     0.13   0.07  -0.04    -0.00  -0.00  -0.07
    14   1    -0.17   0.13   0.05     0.02   0.07  -0.13    -0.16  -0.00  -0.04
    15   1     0.20   0.06   0.05    -0.10   0.11   0.00     0.16   0.01  -0.04
    16   1    -0.07   0.14   0.10    -0.41   0.16   0.04     0.03  -0.03  -0.03
    17   1     0.03   0.22   0.34    -0.15  -0.24   0.16     0.07   0.09   0.12
    18   8    -0.11  -0.09  -0.19     0.14   0.01   0.17    -0.00  -0.00  -0.04
    19   8     0.01  -0.05   0.07    -0.03  -0.03  -0.17    -0.10  -0.02  -0.14
    20   1    -0.03   0.03   0.17    -0.00   0.04  -0.32    -0.08  -0.00  -0.24
    21   6     0.00   0.01   0.01    -0.08   0.07   0.02     0.04  -0.03   0.08
    22   6     0.10   0.04  -0.01    -0.04   0.09   0.02     0.05  -0.02   0.15
    23   6     0.09   0.00  -0.00     0.03   0.01   0.03     0.02   0.03   0.18
    24   8     0.13   0.09  -0.03    -0.04   0.09  -0.02     0.03  -0.06  -0.10
    25   6     0.26  -0.01  -0.03     0.10  -0.06  -0.01    -0.02   0.02  -0.01
    26   1    -0.06  -0.08   0.01    -0.22  -0.08   0.02     0.08   0.02  -0.18
    27   1    -0.04   0.06   0.01    -0.10   0.10   0.02     0.05  -0.04   0.05
    28   1     0.13   0.01  -0.01     0.14   0.05   0.02    -0.04   0.01   0.25
    29   1     0.36  -0.01  -0.05     0.24  -0.06  -0.03     0.01  -0.00  -0.04
    30   1     0.34   0.00  -0.05     0.20  -0.04  -0.03    -0.16   0.03  -0.02
    31   1     0.19  -0.14   0.01     0.02  -0.22   0.05     0.03   0.10   0.08
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.1449               440.1516               456.1227
 Red. masses --      3.3249                 4.9822                 4.4401
 Frc consts  --      0.3409                 0.5687                 0.5443
 IR Inten    --      0.2164                 2.1830                 5.2406
 RamAct Fr= 1--      1.7492                 0.9229                 1.4457
  Dep-P Fr= 1--      0.7350                 0.7105                 0.7500
  Dep-U Fr= 1--      0.8472                 0.8308                 0.8571
 Alpha2 Fr= 1--      0.0004                 0.0006                 0.0000
 Beta2  Fr= 1--      0.2470                 0.1278                 0.2065
 AlphaG Fr= 1--      0.0002                 0.0057                -0.0002
 Gamma2 Fr= 1--     -0.7188                -0.3772                -0.8672
 Delta2 Fr= 1--      0.0379                -0.0041                -0.0156
 Raman1 Fr= 1--       6.997                  3.691                  5.783
 ROA1   Fr= 1--     -67.788                -36.345                -83.749
 CID1   Fr= 1--      -9.688                 -9.846                -14.482
 Raman2 Fr= 1--       2.964                  1.533                  2.478
 ROA2   Fr= 1--     -17.553                 -9.020                -20.687
 CID2   Fr= 1--      -5.922                 -5.883                 -8.347
 Raman3 Fr= 1--       5.928                  3.067                  4.957
 ROA3   Fr= 1--     -67.788                -36.345                -83.749
 CID3   Fr= 1--     -11.435                -11.851                -16.896
 RC180  Fr= 1--       0.694                  0.662                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.09    -0.12   0.05   0.01     0.08  -0.12   0.00
     2   6    -0.00  -0.01  -0.03    -0.12   0.05   0.02     0.02  -0.15  -0.03
     3   6    -0.02  -0.01  -0.17    -0.12   0.10   0.00     0.16   0.11   0.04
     4   6     0.00   0.01   0.00    -0.06   0.05  -0.00     0.08   0.18  -0.00
     5   6     0.01   0.02   0.13    -0.13   0.08  -0.00    -0.00   0.19   0.06
     6   6    -0.02  -0.02  -0.16    -0.15   0.06   0.02    -0.08  -0.06  -0.04
     7   6     0.03   0.02   0.24    -0.03  -0.04   0.01    -0.03  -0.05  -0.04
     8   1    -0.04  -0.03  -0.40    -0.12   0.10   0.00     0.34   0.17   0.03
     9   1     0.02   0.04   0.26    -0.18   0.11  -0.02    -0.12   0.31   0.13
    10   1    -0.05  -0.04  -0.32    -0.18   0.06   0.03    -0.27  -0.12  -0.04
    11   6     0.00  -0.00  -0.00     0.01  -0.14  -0.02     0.04  -0.09  -0.01
    12   6     0.00  -0.00  -0.00     0.12  -0.16  -0.08     0.09  -0.13  -0.05
    13   6    -0.00  -0.00   0.00     0.09  -0.05   0.00    -0.06  -0.09   0.01
    14   1     0.02  -0.01   0.00     0.01  -0.16  -0.04     0.20  -0.13   0.05
    15   1     0.00  -0.01  -0.00     0.16  -0.18  -0.09     0.13  -0.14  -0.07
    16   1     0.01  -0.00   0.00     0.24  -0.24  -0.11     0.17  -0.20  -0.08
    17   1     0.00   0.00  -0.01     0.13   0.01  -0.10     0.10  -0.02  -0.04
    18   8    -0.00  -0.00  -0.00     0.07   0.05   0.12    -0.08   0.01  -0.09
    19   8     0.01   0.01   0.01     0.04   0.03  -0.03    -0.02   0.03   0.06
    20   1     0.01  -0.04   0.02     0.06  -0.06  -0.07    -0.01  -0.10   0.12
    21   6    -0.03  -0.02  -0.20    -0.05  -0.13   0.02    -0.02   0.08   0.02
    22   6    -0.01  -0.01  -0.10     0.04  -0.10   0.00    -0.07   0.08   0.06
    23   6     0.01   0.01   0.10    -0.08  -0.04   0.01     0.03  -0.04   0.03
    24   8     0.00   0.01   0.05     0.13   0.09  -0.02    -0.11   0.08  -0.02
    25   6     0.00   0.00   0.01     0.23   0.08  -0.04    -0.02  -0.04   0.00
    26   1     0.05   0.05   0.46     0.08  -0.01  -0.01    -0.18  -0.09  -0.07
    27   1    -0.04  -0.03  -0.33    -0.04  -0.14   0.02    -0.03   0.07  -0.02
    28   1     0.04   0.03   0.30    -0.22  -0.09   0.02     0.19   0.01  -0.01
    29   1    -0.05   0.04   0.04     0.29   0.07  -0.05     0.08  -0.03  -0.01
    30   1     0.08  -0.03   0.03     0.29   0.08  -0.04     0.05  -0.03  -0.01
    31   1    -0.01  -0.02  -0.09     0.17  -0.02  -0.02    -0.08  -0.16   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --    484.7510               535.7155               566.0997
 Red. masses --      2.5631                 6.4751                 3.5671
 Frc consts  --      0.3549                 1.0949                 0.6735
 IR Inten    --     14.3492                 0.4344                 9.1614
 RamAct Fr= 1--      0.2157                18.6071                 3.7430
  Dep-P Fr= 1--      0.3307                 0.3634                 0.5379
  Dep-U Fr= 1--      0.4970                 0.5331                 0.6996
 Alpha2 Fr= 1--      0.0020                 0.1563                 0.0153
 Beta2  Fr= 1--      0.0179                 1.6533                 0.4364
 AlphaG Fr= 1--      0.0061                 0.1049                 0.0866
 Gamma2 Fr= 1--     -0.3941                -0.2913                 0.7108
 Delta2 Fr= 1--     -0.0014                -0.3399                 0.9435
 Raman1 Fr= 1--       0.863                 74.428                 14.972
 ROA1   Fr= 1--     -37.876                -38.842                 98.430
 CID1   Fr= 1--     -43.904                 -0.522                  6.574
 Raman2 Fr= 1--       0.214                 19.839                  5.237
 ROA2   Fr= 1--      -9.447                 -4.271                  9.512
 CID2   Fr= 1--     -44.064                 -0.215                  1.816
 Raman3 Fr= 1--       0.429                 39.679                 10.474
 ROA3   Fr= 1--     -37.876                -38.842                 98.430
 CID3   Fr= 1--     -88.330                 -0.979                  9.398
 RC180  Fr= 1--      -0.006                  0.066                  0.399
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.21    -0.12  -0.02   0.02     0.06   0.08   0.07
     2   6     0.02   0.02   0.19     0.14   0.05  -0.01    -0.06   0.02  -0.12
     3   6    -0.01  -0.02  -0.12    -0.07   0.11  -0.01     0.05  -0.03   0.06
     4   6     0.00   0.00   0.03     0.03   0.07  -0.00     0.05  -0.08  -0.17
     5   6     0.01   0.00   0.05     0.29   0.13  -0.05     0.00  -0.09   0.09
     6   6    -0.01  -0.01  -0.10     0.27   0.09  -0.04    -0.00  -0.02  -0.05
     7   6    -0.01  -0.01  -0.10    -0.24  -0.05   0.03     0.05   0.08  -0.02
     8   1    -0.06  -0.05  -0.45     0.01   0.13  -0.03    -0.03  -0.04   0.20
     9   1    -0.00  -0.01  -0.05     0.37   0.06  -0.07     0.04  -0.05   0.39
    10   1    -0.05  -0.05  -0.42     0.26   0.09  -0.05     0.12   0.03   0.14
    11   6    -0.00   0.00  -0.00     0.01   0.02   0.02     0.06   0.06  -0.11
    12   6    -0.00   0.00   0.00    -0.01   0.05   0.02    -0.02   0.02  -0.01
    13   6     0.00  -0.00   0.00    -0.01   0.01   0.01    -0.05   0.04  -0.00
    14   1    -0.00   0.00   0.00     0.03   0.03   0.03     0.11   0.07  -0.07
    15   1     0.00  -0.01   0.00    -0.04   0.08   0.03    -0.08  -0.04   0.04
    16   1     0.00   0.01   0.01    -0.02   0.05   0.01    -0.12   0.15   0.09
    17   1    -0.00   0.01   0.00    -0.02   0.03  -0.00    -0.03  -0.15  -0.01
    18   8     0.00  -0.00   0.00    -0.00  -0.00  -0.04    -0.04  -0.02   0.02
    19   8    -0.00   0.01   0.00    -0.02  -0.01  -0.01     0.05  -0.01   0.07
    20   1     0.01  -0.08   0.00    -0.02   0.01  -0.04    -0.02   0.21   0.19
    21   6     0.01   0.01   0.05    -0.29  -0.19   0.05    -0.00  -0.07  -0.01
    22   6     0.01   0.01   0.07    -0.06  -0.12   0.01    -0.07  -0.05   0.17
    23   6    -0.01  -0.01  -0.12     0.06  -0.17   0.01    -0.08  -0.09   0.03
    24   8    -0.00  -0.00  -0.01    -0.03   0.05   0.00    -0.06   0.12  -0.04
    25   6    -0.00  -0.00  -0.00     0.04  -0.03  -0.00     0.06   0.03  -0.02
    26   1    -0.05  -0.05  -0.46    -0.18  -0.03   0.03     0.10   0.08  -0.23
    27   1    -0.01  -0.01  -0.12    -0.28  -0.19   0.06     0.09  -0.22  -0.30
    28   1    -0.06  -0.05  -0.48    -0.07  -0.21   0.03    -0.17  -0.13  -0.09
    29   1     0.00   0.01   0.00     0.12  -0.02  -0.01     0.20   0.04  -0.03
    30   1    -0.01  -0.01   0.00     0.12  -0.02  -0.01     0.17   0.02  -0.02
    31   1    -0.00   0.00   0.00    -0.02  -0.14   0.02    -0.04  -0.15   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    572.4928               599.0971               621.9965
 Red. masses --      4.0554                 1.1580                 4.1644
 Frc consts  --      0.7831                 0.2449                 0.9492
 IR Inten    --     12.6870                43.8742                 5.1561
 RamAct Fr= 1--      5.9441                 1.5490                 1.1853
  Dep-P Fr= 1--      0.2720                 0.6274                 0.7482
  Dep-U Fr= 1--      0.4277                 0.7711                 0.8560
 Alpha2 Fr= 1--      0.0662                 0.0035                 0.0000
 Beta2  Fr= 1--      0.4237                 0.1991                 0.1691
 AlphaG Fr= 1--     -0.1636                -0.1283                -0.0017
 Gamma2 Fr= 1--      1.5567                -1.0996                -0.0194
 Delta2 Fr= 1--     -0.5070                 0.5759                 0.2367
 Raman1 Fr= 1--      23.776                  6.196                  4.741
 ROA1   Fr= 1--     133.220                -87.130                  5.710
 CID1   Fr= 1--       5.603                -14.063                  1.204
 Raman2 Fr= 1--       5.085                  2.389                  2.029
 ROA2   Fr= 1--      41.417                -30.997                 -2.359
 CID2   Fr= 1--       8.145                -12.977                 -1.163
 Raman3 Fr= 1--      10.170                  4.777                  4.058
 ROA3   Fr= 1--     133.220                -87.130                  5.710
 CID3   Fr= 1--      13.099                -18.238                  1.407
 RC180  Fr= 1--      -0.145                  0.542                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.06  -0.09     0.01  -0.00  -0.01     0.08  -0.01  -0.05
     2   6    -0.03   0.02   0.11     0.01   0.00   0.03     0.12   0.01   0.04
     3   6     0.07  -0.03  -0.05     0.00  -0.00  -0.02     0.04  -0.11   0.04
     4   6     0.08  -0.02   0.14     0.01   0.00   0.03    -0.10  -0.01   0.07
     5   6    -0.03  -0.07  -0.05     0.00   0.01   0.00    -0.03   0.04   0.02
     6   6    -0.02  -0.01   0.04    -0.00   0.00  -0.00     0.00   0.14  -0.03
     7   6     0.10   0.10  -0.02     0.00  -0.00  -0.01     0.03   0.08  -0.06
     8   1    -0.01  -0.06  -0.15     0.01   0.00  -0.01     0.07  -0.10  -0.07
     9   1    -0.08  -0.08  -0.30    -0.01  -0.00  -0.07     0.06  -0.07  -0.13
    10   1     0.03  -0.01  -0.15    -0.02  -0.01  -0.09    -0.06   0.10  -0.21
    11   6     0.06  -0.01   0.13     0.00  -0.02   0.00    -0.15  -0.00  -0.16
    12   6    -0.01   0.04   0.03     0.01  -0.03  -0.02    -0.00  -0.04  -0.03
    13   6     0.02  -0.05   0.03    -0.01   0.03  -0.00    -0.05   0.05  -0.10
    14   1     0.05   0.03   0.16    -0.02  -0.03  -0.03    -0.26  -0.03  -0.25
    15   1    -0.07   0.16   0.03     0.01   0.01  -0.03     0.16  -0.25  -0.07
    16   1    -0.02  -0.01  -0.03     0.01  -0.05  -0.04     0.05  -0.00   0.04
    17   1    -0.02  -0.01  -0.03     0.01  -0.01  -0.02     0.03   0.12   0.12
    18   8     0.01   0.01  -0.12    -0.01   0.02   0.00    -0.06  -0.04   0.18
    19   8    -0.11   0.01  -0.04     0.01  -0.07   0.01     0.14   0.03  -0.00
    20   1    -0.03  -0.27  -0.19    -0.15   0.97   0.01     0.12  -0.25   0.29
    21   6     0.03  -0.06   0.02     0.00  -0.00   0.01     0.01   0.00   0.04
    22   6    -0.13  -0.08  -0.12    -0.01  -0.00  -0.03    -0.06  -0.03  -0.11
    23   6    -0.08  -0.11   0.02     0.00  -0.01   0.00     0.09  -0.11   0.02
    24   8    -0.09   0.17   0.03    -0.01   0.01   0.01    -0.07   0.06   0.02
    25   6     0.06   0.02  -0.00    -0.00  -0.00   0.00    -0.03  -0.02   0.01
    26   1     0.17   0.13   0.14     0.01   0.00   0.03     0.05   0.09   0.09
    27   1     0.22  -0.18   0.28     0.02  -0.00   0.07     0.12  -0.05   0.30
    28   1    -0.11  -0.12   0.14     0.01  -0.00   0.02     0.14  -0.09   0.17
    29   1     0.20   0.02  -0.03     0.01  -0.00  -0.00     0.02  -0.03  -0.01
    30   1     0.23   0.04  -0.03     0.01   0.00  -0.00     0.04  -0.01  -0.01
    31   1    -0.07  -0.20   0.03    -0.01  -0.01   0.00    -0.08  -0.11   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --    644.0907               691.0470               715.7436
 Red. masses --      3.6662                 4.6143                 3.8806
 Frc consts  --      0.8961                 1.2983                 1.1713
 IR Inten    --      1.3807                 5.5599                 5.3658
 RamAct Fr= 1--      0.6522                 1.8018                 2.0546
  Dep-P Fr= 1--      0.6725                 0.1904                 0.2671
  Dep-U Fr= 1--      0.8042                 0.3199                 0.4216
 Alpha2 Fr= 1--      0.0009                 0.0251                 0.0232
 Beta2  Fr= 1--      0.0874                 0.0961                 0.1444
 AlphaG Fr= 1--     -0.0340                 0.1048                 0.0843
 Gamma2 Fr= 1--      0.9462                -0.4212                -1.1133
 Delta2 Fr= 1--      0.4126                -0.4752                -0.1825
 Raman1 Fr= 1--       2.609                  7.207                  8.218
 ROA1   Fr= 1--     104.033                -55.644               -112.715
 CID1   Fr= 1--      39.878                 -7.721                -13.715
 Raman2 Fr= 1--       1.049                  1.153                  1.733
 ROA2   Fr= 1--      19.407                 -6.308                -25.259
 CID2   Fr= 1--      18.501                 -5.472                -14.579
 Raman3 Fr= 1--       2.098                  2.305                  3.465
 ROA3   Fr= 1--     104.033                -55.644               -112.715
 CID3   Fr= 1--      49.587                -24.136                -32.528
 RC180  Fr= 1--       0.608                 -0.360                 -0.157
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01   0.00    -0.06  -0.01  -0.08     0.02   0.02  -0.12
     2   6     0.09  -0.01  -0.10    -0.07  -0.03  -0.01    -0.00   0.01   0.01
     3   6     0.01  -0.11  -0.06    -0.07   0.13  -0.06     0.08  -0.04  -0.02
     4   6    -0.11  -0.01   0.03     0.03   0.05   0.19     0.10   0.01   0.18
     5   6    -0.07   0.05  -0.08     0.13  -0.02  -0.08    -0.08  -0.04  -0.01
     6   6    -0.03   0.16   0.05     0.10  -0.16   0.09    -0.05   0.03   0.08
     7   6     0.03   0.07   0.09     0.13  -0.13   0.10    -0.11   0.16   0.07
     8   1     0.08  -0.09   0.02    -0.06   0.12  -0.18     0.03  -0.07  -0.19
     9   1     0.03  -0.03   0.01     0.04  -0.01  -0.39    -0.17  -0.04  -0.44
    10   1    -0.06   0.16   0.29     0.12  -0.16   0.00    -0.05   0.01  -0.17
    11   6    -0.10  -0.07   0.14    -0.09  -0.02  -0.04     0.13   0.06  -0.11
    12   6    -0.01  -0.01   0.02    -0.01   0.02  -0.00     0.03  -0.03  -0.03
    13   6     0.07  -0.02   0.03    -0.06   0.04  -0.09    -0.05  -0.03  -0.04
    14   1    -0.13  -0.10   0.09    -0.21  -0.03  -0.12     0.11   0.13  -0.05
    15   1     0.05   0.11  -0.04     0.08  -0.06  -0.03    -0.03  -0.14   0.03
    16   1     0.12  -0.19  -0.13     0.05  -0.01  -0.00    -0.12   0.17   0.12
    17   1     0.01   0.19  -0.00     0.01   0.16   0.07     0.01  -0.26   0.01
    18   8     0.07   0.03  -0.01    -0.06  -0.03   0.09    -0.08  -0.01  -0.01
    19   8    -0.04  -0.02  -0.06     0.08   0.01  -0.04     0.02   0.01   0.04
    20   1    -0.03   0.14  -0.23     0.04  -0.03   0.18    -0.01  -0.00   0.18
    21   6    -0.01   0.01  -0.08     0.12  -0.04  -0.09    -0.15   0.02  -0.06
    22   6     0.00   0.02   0.21    -0.01   0.04   0.16     0.03  -0.01   0.13
    23   6     0.09  -0.10  -0.05    -0.09   0.06  -0.05     0.01  -0.04  -0.04
    24   8    -0.05   0.03  -0.03    -0.08   0.09  -0.02     0.10  -0.11  -0.02
    25   6    -0.04  -0.02   0.00    -0.01   0.01  -0.00     0.04   0.01  -0.01
    26   1    -0.00   0.05  -0.09     0.18  -0.12   0.09    -0.15   0.16   0.18
    27   1    -0.00  -0.09  -0.51     0.09  -0.07  -0.35    -0.16   0.01  -0.20
    28   1     0.11  -0.11  -0.31    -0.11   0.04  -0.25    -0.05  -0.07  -0.20
    29   1     0.01  -0.00   0.00     0.09   0.02  -0.01    -0.06   0.01   0.01
    30   1    -0.01  -0.04   0.01     0.07   0.00  -0.00    -0.07  -0.00   0.01
    31   1    -0.06  -0.07   0.00    -0.08  -0.12   0.02     0.12   0.16  -0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --    751.0296               769.7664               784.4519
 Red. masses --      4.8895                 4.5711                 2.6607
 Frc consts  --      1.6249                 1.5958                 0.9647
 IR Inten    --      4.1454                 7.9117                 4.3399
 RamAct Fr= 1--      1.4199                70.3562                 6.6422
  Dep-P Fr= 1--      0.7424                 0.0749                 0.0630
  Dep-U Fr= 1--      0.8522                 0.1394                 0.1186
 Alpha2 Fr= 1--      0.0002                 1.3093                 0.1272
 Beta2  Fr= 1--      0.2017                 1.6341                 0.1313
 AlphaG Fr= 1--     -0.0178                -0.0087                -0.2001
 Gamma2 Fr= 1--      3.2761                 0.9711                -0.2178
 Delta2 Fr= 1--     -0.2963                -0.4627                 0.5349
 Raman1 Fr= 1--       5.680                281.425                 26.569
 ROA1   Fr= 1--     305.025                 78.420                 -3.796
 CID1   Fr= 1--      53.705                  0.279                 -0.143
 Raman2 Fr= 1--       2.420                 19.610                  1.576
 ROA2   Fr= 1--      80.997                 27.008                 -9.507
 CID2   Fr= 1--      33.469                  1.377                 -6.033
 Raman3 Fr= 1--       4.840                 39.219                  3.152
 ROA3   Fr= 1--     305.025                 78.420                 -3.796
 CID3   Fr= 1--      63.019                  2.000                 -1.204
 RC180  Fr= 1--       0.704                 -0.721                 -0.763
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.03     0.04   0.11   0.08    -0.02   0.00  -0.18
     2   6    -0.00  -0.01   0.02    -0.02  -0.12  -0.05     0.03  -0.01   0.22
     3   6     0.01   0.02   0.00    -0.01   0.12  -0.04    -0.02   0.03   0.04
     4   6     0.01   0.00   0.01     0.02   0.04  -0.00    -0.03  -0.01  -0.14
     5   6     0.00   0.00   0.01     0.03  -0.03  -0.05     0.02   0.01   0.08
     6   6    -0.00  -0.02   0.01     0.01  -0.26   0.02    -0.00  -0.06  -0.07
     7   6    -0.01   0.03   0.01    -0.05   0.29  -0.04     0.00   0.06   0.01
     8   1     0.02   0.02  -0.01    -0.03   0.12  -0.04     0.02   0.07   0.40
     9   1    -0.03   0.02  -0.06    -0.08   0.11   0.19     0.01   0.03   0.16
    10   1    -0.02  -0.03  -0.06    -0.02  -0.25   0.29    -0.05  -0.09  -0.21
    11   6     0.01  -0.01   0.05    -0.11  -0.07   0.10    -0.04  -0.02   0.03
    12   6     0.03  -0.16  -0.05    -0.04   0.05   0.04    -0.02   0.03   0.02
    13   6    -0.07   0.51   0.04    -0.02  -0.00  -0.05     0.02  -0.02   0.00
    14   1    -0.09  -0.24  -0.25    -0.12  -0.14   0.02    -0.00  -0.04   0.03
    15   1    -0.07   0.23  -0.09     0.05   0.16  -0.02     0.01   0.04   0.00
    16   1     0.04  -0.39  -0.30     0.13  -0.16  -0.11     0.04  -0.03  -0.02
    17   1     0.01  -0.15  -0.23    -0.02   0.33   0.03    -0.01   0.11   0.02
    18   8     0.08  -0.12  -0.05    -0.03  -0.01   0.06     0.01   0.01   0.01
    19   8    -0.06  -0.09   0.06     0.07   0.01  -0.08     0.01   0.00  -0.02
    20   1     0.01  -0.37  -0.04     0.03   0.07   0.04     0.01  -0.00  -0.04
    21   6    -0.02   0.01  -0.01    -0.05   0.08   0.05    -0.01   0.00  -0.11
    22   6     0.00  -0.00   0.02    -0.03  -0.04  -0.06     0.01   0.00   0.08
    23   6     0.00  -0.01  -0.01     0.03  -0.12   0.03     0.02  -0.03  -0.01
    24   8     0.01  -0.01  -0.00     0.08  -0.08   0.01     0.01  -0.01  -0.00
    25   6     0.01   0.00  -0.00     0.04   0.02  -0.01     0.00   0.00  -0.00
    26   1    -0.01   0.04   0.04    -0.07   0.27  -0.25     0.07   0.11   0.43
    27   1    -0.01   0.00  -0.01     0.06  -0.04  -0.07     0.06   0.02   0.26
    28   1    -0.00  -0.01  -0.04     0.11  -0.09   0.18    -0.02  -0.08  -0.55
    29   1    -0.01   0.00   0.00    -0.04   0.01   0.01    -0.00   0.00  -0.00
    30   1    -0.01   0.00   0.00    -0.04   0.02   0.00    -0.01   0.00   0.00
    31   1     0.02   0.02  -0.00     0.11   0.14  -0.03     0.01   0.02   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    813.6681               820.7669               837.0484
 Red. masses --      3.2777                 1.5208                 1.7272
 Frc consts  --      1.2785                 0.6036                 0.7130
 IR Inten    --      6.0589                22.8057                 2.6706
 RamAct Fr= 1--      6.1867                 0.8576                 1.4294
  Dep-P Fr= 1--      0.4358                 0.2389                 0.3748
  Dep-U Fr= 1--      0.6071                 0.3857                 0.5452
 Alpha2 Fr= 1--      0.0401                 0.0105                 0.0116
 Beta2  Fr= 1--      0.6259                 0.0551                 0.1299
 AlphaG Fr= 1--     -0.0713                -0.0100                -0.0251
 Gamma2 Fr= 1--      1.1111                -0.2380                 0.0430
 Delta2 Fr= 1--     -0.6812                -0.1686                 0.1147
 Raman1 Fr= 1--      24.747                  3.430                  5.718
 ROA1   Fr= 1--      84.865                -28.245                  7.802
 CID1   Fr= 1--       3.429                 -8.234                  1.365
 Raman2 Fr= 1--       7.511                  0.662                  1.559
 ROA2   Fr= 1--      32.115                 -4.364                  0.116
 CID2   Fr= 1--       4.276                 -6.597                  0.074
 Raman3 Fr= 1--      15.023                  1.323                  3.117
 ROA3   Fr= 1--      84.865                -28.245                  7.802
 CID3   Fr= 1--       5.649                -21.346                  2.503
 RC180  Fr= 1--       0.214                 -0.229                  0.090
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06  -0.04     0.02   0.00   0.11    -0.03   0.01  -0.04
     2   6    -0.04   0.07   0.07    -0.01   0.00  -0.05     0.03  -0.01   0.07
     3   6     0.13  -0.08  -0.03     0.02  -0.01   0.00    -0.05   0.02  -0.01
     4   6     0.06  -0.00   0.00     0.01   0.00   0.04    -0.00   0.01   0.11
     5   6    -0.01   0.00  -0.03    -0.01  -0.01  -0.06    -0.02  -0.02  -0.09
     6   6    -0.02   0.09  -0.07    -0.00   0.01  -0.01    -0.02  -0.02  -0.09
     7   6    -0.03  -0.07   0.05    -0.02  -0.02  -0.10     0.01   0.01   0.03
     8   1     0.24  -0.03   0.23    -0.01  -0.04  -0.34    -0.08   0.02   0.01
     9   1     0.06   0.02   0.33     0.03   0.02   0.18     0.04   0.05   0.50
    10   1     0.11   0.15   0.24     0.05   0.05   0.28     0.05   0.05   0.62
    11   6     0.05  -0.03   0.15     0.00  -0.00   0.01     0.03   0.04  -0.05
    12   6     0.00   0.02   0.06    -0.00  -0.00   0.00     0.02  -0.03  -0.03
    13   6    -0.10   0.02  -0.10    -0.01   0.01  -0.01     0.01   0.00   0.00
    14   1     0.12  -0.14   0.08     0.00  -0.02   0.00    -0.06   0.10  -0.04
    15   1    -0.11   0.39   0.03    -0.00   0.03  -0.00     0.01  -0.15  -0.00
    16   1     0.02  -0.20  -0.17     0.01  -0.02  -0.02    -0.05   0.10   0.08
    17   1    -0.02   0.03  -0.11    -0.00   0.01  -0.01     0.02  -0.13   0.02
    18   8    -0.11  -0.04   0.05    -0.01  -0.00   0.00     0.01   0.00  -0.01
    19   8     0.12   0.01  -0.13     0.01  -0.00  -0.01    -0.03  -0.00   0.04
    20   1     0.06  -0.00   0.16    -0.00   0.03   0.01    -0.02  -0.01   0.01
    21   6    -0.04  -0.02   0.03    -0.02  -0.01  -0.10     0.02   0.00   0.02
    22   6    -0.02  -0.01  -0.05     0.01   0.01   0.07     0.00  -0.00  -0.07
    23   6    -0.10   0.09   0.02    -0.01   0.01   0.02     0.05  -0.02   0.05
    24   8     0.02  -0.02   0.01     0.00  -0.01  -0.02    -0.01   0.02   0.02
    25   6     0.03   0.02  -0.00     0.01   0.00  -0.00    -0.02  -0.01   0.01
    26   1    -0.13  -0.12  -0.15     0.05   0.04   0.52     0.03   0.00  -0.14
    27   1    -0.12   0.01  -0.15     0.06   0.07   0.64     0.00  -0.02  -0.13
    28   1    -0.24   0.03  -0.17    -0.05  -0.01  -0.13     0.04  -0.05  -0.41
    29   1     0.01   0.02  -0.00     0.01  -0.00  -0.01    -0.01  -0.01   0.01
    30   1     0.02   0.02  -0.00    -0.00   0.01  -0.01    -0.00  -0.01   0.00
    31   1     0.04   0.03  -0.02     0.01   0.01   0.03    -0.02  -0.02  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    854.7622               898.8081               918.0622
 Red. masses --      3.2662                 1.6964                 1.4647
 Frc consts  --      1.4060                 0.8075                 0.7273
 IR Inten    --      6.3561                32.3655                 9.9138
 RamAct Fr= 1--     28.3510                 1.6951                 1.1620
  Dep-P Fr= 1--      0.1131                 0.7498                 0.6555
  Dep-U Fr= 1--      0.2032                 0.8570                 0.7919
 Alpha2 Fr= 1--      0.4807                 0.0000                 0.0020
 Beta2  Fr= 1--      0.9602                 0.2421                 0.1534
 AlphaG Fr= 1--      0.3482                -0.0004                -0.0216
 Gamma2 Fr= 1--     -1.9564                -0.3619                -0.8622
 Delta2 Fr= 1--      0.0940                -0.1564                -0.2588
 Raman1 Fr= 1--     113.404                  6.781                  4.648
 ROA1   Fr= 1--    -184.808                -39.749                -91.051
 CID1   Fr= 1--      -1.630                 -5.862                -19.589
 Raman2 Fr= 1--      11.523                  2.906                  1.840
 ROA2   Fr= 1--     -47.705                 -7.435                -18.621
 CID2   Fr= 1--      -4.140                 -2.559                -10.118
 Raman3 Fr= 1--      23.046                  5.811                  3.681
 ROA3   Fr= 1--    -184.808                -39.749                -91.051
 CID3   Fr= 1--      -8.019                 -6.840                -24.737
 RC180  Fr= 1--      -0.594                  0.714                  0.584
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.06   0.03    -0.00  -0.00  -0.03     0.01   0.00   0.07
     2   6     0.08  -0.03  -0.02     0.01   0.01   0.11    -0.01  -0.01  -0.02
     3   6    -0.16   0.09  -0.01     0.00  -0.00   0.01    -0.02  -0.02  -0.16
     4   6    -0.00  -0.03  -0.01    -0.00   0.00   0.02    -0.00   0.01   0.06
     5   6    -0.08  -0.03   0.03    -0.00  -0.00  -0.05     0.01   0.01  -0.00
     6   6    -0.05   0.02   0.03    -0.00  -0.01  -0.05     0.01  -0.00   0.02
     7   6     0.02  -0.02  -0.01     0.00   0.00   0.02     0.00   0.00   0.01
     8   1    -0.33   0.05   0.10     0.01   0.00   0.01     0.11   0.08   0.85
     9   1    -0.11  -0.02  -0.07     0.05   0.04   0.37     0.01   0.00  -0.03
    10   1    -0.15  -0.02  -0.10     0.02   0.01   0.15    -0.01  -0.01  -0.07
    11   6     0.16   0.02   0.10     0.00   0.01  -0.01    -0.00   0.02  -0.01
    12   6     0.07  -0.01   0.03     0.00  -0.01  -0.01     0.01  -0.02  -0.02
    13   6    -0.07   0.01  -0.05     0.00   0.00  -0.00     0.00  -0.00  -0.01
    14   1     0.21   0.04   0.15    -0.02   0.02  -0.01    -0.06   0.06  -0.01
    15   1    -0.22   0.32   0.10     0.01  -0.03  -0.00     0.01  -0.10  -0.00
    16   1    -0.14   0.01  -0.05    -0.01   0.01   0.01    -0.02   0.05   0.04
    17   1     0.02  -0.37  -0.20     0.00  -0.02   0.01     0.01  -0.07   0.03
    18   8    -0.09  -0.03   0.02     0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   8     0.08   0.01  -0.08    -0.00  -0.00   0.01    -0.01   0.00   0.01
    20   1     0.04  -0.01   0.12    -0.00   0.00   0.00    -0.00  -0.05   0.02
    21   6     0.04  -0.02  -0.02    -0.00  -0.00  -0.03    -0.00   0.00  -0.06
    22   6     0.06   0.03   0.01     0.01   0.01   0.09    -0.01  -0.00   0.01
    23   6     0.17  -0.08  -0.03    -0.02  -0.02  -0.18    -0.01  -0.00   0.01
    24   8    -0.03   0.06  -0.01    -0.00  -0.00  -0.02     0.00  -0.01  -0.00
    25   6    -0.08  -0.05   0.01     0.00   0.00  -0.00     0.01   0.01  -0.00
    26   1     0.16   0.02   0.03    -0.00  -0.00  -0.03    -0.04  -0.02  -0.19
    27   1     0.04   0.00   0.08     0.01   0.00   0.04     0.05   0.04   0.37
    28   1     0.35  -0.01   0.07     0.10   0.09   0.87    -0.02  -0.00   0.02
    29   1    -0.03  -0.04   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   1    -0.03  -0.04   0.01    -0.00  -0.00  -0.00     0.00   0.01  -0.00
    31   1    -0.10  -0.10   0.03     0.00   0.00   0.00     0.01   0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    938.5338               950.3572               975.7303
 Red. masses --      3.7058                 1.3427                 1.4081
 Frc consts  --      1.9232                 0.7145                 0.7898
 IR Inten    --     12.0065                 2.2898                 1.0018
 RamAct Fr= 1--      8.4544                 0.9465                 3.1895
  Dep-P Fr= 1--      0.3256                 0.7424                 0.2767
  Dep-U Fr= 1--      0.4913                 0.8521                 0.4335
 Alpha2 Fr= 1--      0.0802                 0.0001                 0.0350
 Beta2  Fr= 1--      0.6922                 0.1344                 0.2304
 AlphaG Fr= 1--      0.1330                -0.0024                 0.2373
 Gamma2 Fr= 1--      1.9391                 0.2257                 2.5483
 Delta2 Fr= 1--     -1.1671                 0.0940                 0.5965
 Raman1 Fr= 1--      33.818                  3.786                 12.758
 ROA1   Fr= 1--     148.803                 24.673                263.728
 CID1   Fr= 1--       4.400                  6.517                 20.671
 Raman2 Fr= 1--       8.307                  1.613                  2.765
 ROA2   Fr= 1--      55.875                  4.665                 56.388
 CID2   Fr= 1--       6.726                  2.892                 20.393
 Raman3 Fr= 1--      16.614                  3.226                  5.530
 ROA3   Fr= 1--     148.803                 24.673                263.728
 CID3   Fr= 1--       8.957                  7.647                 47.688
 RC180  Fr= 1--      -0.017                  0.704                 -0.133
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.06   0.01     0.01   0.01   0.04     0.00   0.01  -0.01
     2   6    -0.05  -0.06   0.01     0.00   0.00   0.01    -0.00  -0.00  -0.02
     3   6    -0.10  -0.12   0.04    -0.00  -0.00  -0.06     0.01  -0.03   0.02
     4   6    -0.12  -0.03  -0.00     0.00   0.00   0.02    -0.01   0.01   0.01
     5   6     0.14   0.19  -0.04    -0.01  -0.01  -0.01    -0.01   0.01  -0.12
     6   6     0.04   0.01  -0.00     0.00  -0.00   0.01     0.01  -0.01   0.12
     7   6     0.03   0.03  -0.02    -0.02  -0.01  -0.12     0.00   0.02   0.01
     8   1    -0.17  -0.15  -0.08     0.05   0.03   0.29     0.01  -0.03  -0.07
     9   1     0.23   0.11  -0.01     0.00   0.01   0.09     0.07   0.11   0.66
    10   1    -0.18  -0.05  -0.02     0.00  -0.01  -0.05    -0.12  -0.11  -0.66
    11   6     0.06   0.04   0.04    -0.00   0.01  -0.00    -0.00   0.02   0.01
    12   6     0.08  -0.03  -0.02    -0.00  -0.01  -0.01     0.01  -0.02  -0.01
    13   6    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.01   0.18   0.15    -0.02   0.02  -0.01    -0.02   0.04   0.03
    15   1    -0.17   0.05   0.09     0.01  -0.04  -0.00    -0.00  -0.03   0.00
    16   1    -0.19   0.15   0.06     0.00   0.01   0.01    -0.02   0.01   0.01
    17   1     0.04  -0.47  -0.12     0.00  -0.00   0.01     0.01  -0.06  -0.00
    18   8    -0.02  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    19   8     0.02   0.00  -0.03    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1     0.02   0.01  -0.01    -0.00  -0.02   0.01     0.00   0.01  -0.00
    21   6     0.13   0.19  -0.02     0.00   0.00   0.09    -0.02  -0.04   0.00
    22   6    -0.10  -0.03   0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    23   6    -0.12  -0.12   0.03     0.00   0.01  -0.01     0.00   0.04   0.02
    24   8     0.00  -0.07   0.01     0.00   0.00   0.00     0.00   0.01   0.00
    25   6     0.09   0.07  -0.02    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    26   1    -0.15  -0.01   0.12     0.09   0.08   0.73     0.06   0.03  -0.08
    27   1     0.19   0.12  -0.14    -0.07  -0.07  -0.55     0.01  -0.06   0.03
    28   1    -0.20  -0.15   0.03     0.01   0.01   0.05     0.00   0.04  -0.10
    29   1     0.04   0.06  -0.01     0.00   0.00   0.00    -0.00  -0.01   0.00
    30   1     0.04   0.06  -0.01    -0.01  -0.01   0.00    -0.00  -0.01   0.00
    31   1     0.11   0.11  -0.03    -0.01  -0.01  -0.01    -0.02  -0.02   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    979.4405              1013.2051              1069.6555
 Red. masses --      3.0946                 2.2961                 3.6461
 Frc consts  --      1.7491                 1.3888                 2.4579
 IR Inten    --      2.7261                10.9183                57.0531
 RamAct Fr= 1--     19.8619                 2.3258                 3.7663
  Dep-P Fr= 1--      0.1380                 0.5571                 0.0991
  Dep-U Fr= 1--      0.2425                 0.7155                 0.1804
 Alpha2 Fr= 1--      0.3165                 0.0085                 0.0661
 Beta2  Fr= 1--      0.8028                 0.2774                 0.1132
 AlphaG Fr= 1--     -0.3638                 0.0269                 0.0139
 Gamma2 Fr= 1--     -2.4090                 0.7345                -0.2897
 Delta2 Fr= 1--     -0.6608                -1.8444                -0.0596
 Raman1 Fr= 1--      79.448                  9.303                 15.065
 ROA1   Fr= 1--    -252.408                 11.493                -29.722
 CID1   Fr= 1--      -3.177                  1.235                 -1.973
 Raman2 Fr= 1--       9.634                  3.328                  1.359
 ROA2   Fr= 1--     -52.529                 32.384                 -6.477
 CID2   Fr= 1--      -5.452                  9.730                 -4.766
 Raman3 Fr= 1--      19.268                  6.657                  2.718
 ROA3   Fr= 1--    -252.408                 11.493                -29.722
 CID3   Fr= 1--     -13.100                  1.727                -10.935
 RC180  Fr= 1--      -0.515                  0.431                 -0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.00    -0.03   0.01   0.00    -0.02  -0.01   0.00
     2   6    -0.00   0.02  -0.01    -0.01  -0.02   0.00    -0.06   0.05   0.00
     3   6    -0.02   0.16  -0.02    -0.04  -0.08  -0.00     0.02  -0.06   0.00
     4   6     0.08  -0.01   0.01     0.03  -0.04   0.04     0.02  -0.00  -0.00
     5   6    -0.06  -0.15  -0.04     0.03   0.11  -0.03     0.03   0.04  -0.01
     6   6     0.00   0.13   0.04    -0.03   0.00   0.01    -0.00  -0.04   0.00
     7   6    -0.01  -0.11   0.02     0.01   0.02  -0.01    -0.03   0.02   0.00
     8   1    -0.02   0.16   0.00    -0.18  -0.12   0.12     0.01  -0.06   0.01
     9   1     0.07  -0.18   0.35    -0.00   0.16   0.04    -0.05   0.12  -0.01
    10   1     0.21   0.16  -0.35    -0.25  -0.06   0.03    -0.00  -0.04   0.01
    11   6     0.01  -0.05  -0.05     0.09  -0.13  -0.13     0.00  -0.00   0.01
    12   6    -0.04   0.05   0.03    -0.03   0.13   0.10    -0.02  -0.00  -0.01
    13   6     0.01   0.01  -0.01     0.02  -0.01  -0.06    -0.01   0.01   0.01
    14   1     0.02  -0.16  -0.15     0.10  -0.43  -0.44     0.04   0.01   0.05
    15   1     0.06   0.06  -0.02    -0.06   0.47   0.04     0.04  -0.09  -0.02
    16   1     0.08  -0.05  -0.03     0.02  -0.09  -0.13     0.03   0.01   0.03
    17   1    -0.03   0.26   0.04    -0.04   0.23  -0.09    -0.01   0.07   0.05
    18   8     0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00  -0.00
    19   8    -0.02  -0.00   0.03    -0.04  -0.01   0.08     0.01  -0.00  -0.01
    20   1    -0.02  -0.01   0.04    -0.05  -0.02   0.11     0.01   0.00  -0.03
    21   6     0.07   0.19  -0.03     0.01  -0.02   0.00     0.04   0.11  -0.02
    22   6    -0.06  -0.00   0.00     0.01   0.00  -0.00     0.15  -0.07  -0.01
    23   6    -0.00  -0.19   0.03     0.00   0.02  -0.00    -0.04  -0.08   0.01
    24   8    -0.00  -0.04   0.00     0.00   0.01  -0.00     0.17   0.20  -0.04
    25   6     0.04   0.03  -0.01    -0.01  -0.00   0.00    -0.20  -0.19   0.04
    26   1    -0.31  -0.20   0.04     0.08   0.05  -0.01    -0.24  -0.03   0.03
    27   1    -0.04   0.30  -0.02     0.04  -0.04  -0.00    -0.10   0.25  -0.01
    28   1    -0.07  -0.22  -0.01     0.04   0.03  -0.01    -0.64  -0.28   0.11
    29   1     0.00   0.02  -0.00     0.00  -0.00  -0.00    -0.10  -0.13   0.04
    30   1     0.00   0.02  -0.00     0.00  -0.00   0.00    -0.11  -0.14   0.01
    31   1     0.07   0.07  -0.02    -0.01  -0.01   0.00    -0.16  -0.15   0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1077.3910              1091.4306              1164.9454
 Red. masses --      2.2671                 1.6796                 1.5982
 Frc consts  --      1.5505                 1.1788                 1.2779
 IR Inten    --     14.9109                 4.6656                24.3909
 RamAct Fr= 1--     13.3156                 7.6158                 1.9386
  Dep-P Fr= 1--      0.5691                 0.1523                 0.5413
  Dep-U Fr= 1--      0.7254                 0.2644                 0.7024
 Alpha2 Fr= 1--      0.0455                 0.1170                 0.0078
 Beta2  Fr= 1--      1.6098                 0.3356                 0.2269
 AlphaG Fr= 1--      0.0675                -0.1320                -0.0011
 Gamma2 Fr= 1--     -1.2550                 1.3208                -1.7532
 Delta2 Fr= 1--      0.1318                 0.6720                -2.5561
 Raman1 Fr= 1--      53.262                 30.463                  7.754
 ROA1   Fr= 1--    -116.262                148.303               -250.104
 CID1   Fr= 1--      -2.183                  4.868                -32.254
 Raman2 Fr= 1--      19.318                  4.027                  2.723
 ROA2   Fr= 1--     -31.174                 26.323                -21.629
 CID2   Fr= 1--      -1.614                  6.536                 -7.942
 Raman3 Fr= 1--      38.636                  8.055                  5.447
 ROA3   Fr= 1--    -116.262                148.303               -250.104
 CID3   Fr= 1--      -3.009                 18.411                -45.919
 RC180  Fr= 1--       0.451                 -0.471                  0.405
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.00    -0.03   0.02   0.00     0.01  -0.08   0.01
     2   6     0.01   0.02  -0.00     0.01   0.00  -0.00     0.01  -0.04   0.00
     3   6    -0.01   0.00   0.00    -0.05  -0.07   0.01    -0.05   0.05  -0.00
     4   6    -0.10   0.07   0.00     0.03   0.01   0.01    -0.07   0.05   0.01
     5   6    -0.01  -0.06   0.01     0.02   0.02  -0.01     0.01  -0.06   0.00
     6   6     0.04  -0.04  -0.00     0.00  -0.01   0.00    -0.02   0.04  -0.00
     7   6    -0.01   0.02  -0.00    -0.00  -0.01   0.00    -0.05   0.08  -0.00
     8   1     0.18   0.06  -0.04    -0.24  -0.13   0.07     0.17   0.11  -0.02
     9   1     0.05  -0.13  -0.01    -0.00   0.04   0.00     0.32  -0.35   0.00
    10   1     0.20   0.00  -0.02    -0.07  -0.03   0.01    -0.11   0.02   0.01
    11   6    -0.02   0.20  -0.03     0.08   0.13  -0.00     0.06  -0.03  -0.01
    12   6     0.06  -0.11   0.09    -0.11  -0.08  -0.01    -0.02   0.03  -0.01
    13   6     0.04  -0.11  -0.07    -0.02   0.00   0.05    -0.01   0.02   0.01
    14   1    -0.00  -0.07  -0.29     0.43  -0.03   0.05     0.22  -0.10   0.03
    15   1    -0.09   0.50   0.02     0.29  -0.20  -0.18     0.04  -0.07  -0.02
    16   1     0.03  -0.47  -0.31     0.32  -0.31  -0.07     0.03   0.06   0.04
    17   1     0.02  -0.10  -0.27    -0.04   0.53   0.13    -0.01   0.04   0.04
    18   8     0.02   0.03   0.00    -0.03  -0.00  -0.01    -0.01  -0.01  -0.00
    19   8    -0.04   0.01   0.05     0.02   0.01  -0.03     0.01  -0.00  -0.01
    20   1    -0.05   0.00   0.13     0.03   0.01  -0.06     0.01  -0.00  -0.02
    21   6     0.01   0.01  -0.00     0.02   0.01  -0.00     0.05  -0.04  -0.00
    22   6     0.01  -0.01  -0.00    -0.01   0.01   0.00    -0.02   0.00   0.00
    23   6    -0.01  -0.00   0.00     0.01  -0.01   0.00    -0.03   0.06  -0.00
    24   8     0.01   0.01  -0.00    -0.02  -0.02   0.00     0.04   0.02  -0.01
    25   6    -0.01  -0.01   0.00     0.02   0.02  -0.00    -0.03  -0.02   0.00
    26   1    -0.05   0.00   0.00     0.04   0.01  -0.00    -0.38  -0.02   0.05
    27   1     0.04  -0.02  -0.00     0.03  -0.00  -0.00     0.50  -0.44  -0.01
    28   1    -0.11  -0.03   0.02     0.04  -0.00  -0.00    -0.01   0.07  -0.01
    29   1    -0.00  -0.01   0.00     0.01   0.01  -0.00     0.03  -0.00  -0.00
    30   1    -0.00  -0.01   0.00     0.01   0.01  -0.00     0.02  -0.01   0.00
    31   1    -0.01  -0.01   0.00     0.01   0.01  -0.00    -0.02  -0.00   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.5591              1181.4664              1187.9317
 Red. masses --      1.2707                 1.7590                 1.7944
 Frc consts  --      1.0294                 1.4466                 1.4920
 IR Inten    --      0.8504                45.1883                68.4693
 RamAct Fr= 1--      0.6302                 8.4290                24.1162
  Dep-P Fr= 1--      0.7500                 0.0883                 0.4533
  Dep-U Fr= 1--      0.8571                 0.1622                 0.6238
 Alpha2 Fr= 1--      0.0000                 0.1519                 0.1459
 Beta2  Fr= 1--      0.0900                 0.2279                 2.5072
 AlphaG Fr= 1--     -0.0007                -0.0590                 0.0109
 Gamma2 Fr= 1--     -0.0294                -0.3584               -10.9902
 Delta2 Fr= 1--     -0.0294                -0.2110                -1.4768
 Raman1 Fr= 1--       2.521                 33.716                 96.465
 ROA1   Fr= 1--      -3.764                -41.162              -1102.320
 CID1   Fr= 1--      -1.493                 -1.221                -11.427
 Raman2 Fr= 1--       1.080                  2.735                 30.087
 ROA2   Fr= 1--      -0.470                 -6.914               -251.951
 CID2   Fr= 1--      -0.435                 -2.528                 -8.374
 Raman3 Fr= 1--       2.160                  5.470                 60.173
 ROA3   Fr= 1--      -3.764                -41.162              -1102.320
 CID3   Fr= 1--      -1.742                 -7.525                -18.319
 RC180  Fr= 1--       0.714                 -0.676                  0.248
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.02   0.03  -0.00    -0.07  -0.04   0.01
     2   6    -0.00   0.00  -0.00    -0.06  -0.08   0.02    -0.10  -0.03   0.02
     3   6     0.00  -0.00   0.00     0.03   0.05  -0.01     0.02  -0.02  -0.01
     4   6     0.00  -0.00  -0.00     0.06  -0.06  -0.01    -0.02  -0.01   0.02
     5   6    -0.00   0.00   0.00     0.07   0.00  -0.01    -0.03   0.03  -0.00
     6   6     0.00  -0.00   0.00    -0.05   0.08  -0.00     0.05   0.02  -0.01
     7   6     0.00  -0.00   0.00     0.03  -0.02  -0.00     0.03   0.02  -0.01
     8   1    -0.00  -0.00  -0.00    -0.15  -0.00   0.01     0.21   0.04   0.01
     9   1    -0.00   0.00  -0.00     0.44  -0.34  -0.02    -0.15   0.14   0.02
    10   1     0.00  -0.00  -0.00    -0.42  -0.02   0.05     0.54   0.17  -0.08
    11   6    -0.00   0.00   0.00    -0.04   0.06   0.01    -0.01  -0.01  -0.08
    12   6     0.00  -0.00   0.00    -0.00  -0.03   0.01     0.01   0.01   0.03
    13   6     0.00  -0.00  -0.00     0.01  -0.02  -0.01    -0.02  -0.00   0.13
    14   1    -0.00   0.00  -0.00    -0.18   0.10  -0.04     0.07  -0.02  -0.04
    15   1    -0.00   0.00   0.00     0.01   0.03  -0.01    -0.03   0.11   0.02
    16   1    -0.00  -0.00  -0.00     0.01  -0.09  -0.04    -0.02  -0.07  -0.07
    17   1     0.00  -0.00  -0.00    -0.00   0.02  -0.02    -0.01  -0.04  -0.07
    18   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.04  -0.01  -0.01
    19   8    -0.00   0.00   0.00    -0.01   0.00   0.00     0.05   0.01  -0.03
    20   1    -0.00   0.00   0.00    -0.01  -0.00   0.04     0.12   0.03  -0.40
    21   6    -0.00   0.00   0.00    -0.04  -0.02   0.01    -0.01   0.02  -0.00
    22   6     0.00   0.00   0.00    -0.06   0.04   0.00    -0.07  -0.01   0.01
    23   6     0.00  -0.00  -0.00    -0.04  -0.01   0.01     0.01  -0.01  -0.00
    24   8     0.01   0.01   0.06     0.06   0.05  -0.01     0.06   0.03  -0.01
    25   6    -0.02  -0.01  -0.14     0.01  -0.09   0.01    -0.02  -0.05   0.01
    26   1     0.00  -0.00  -0.00     0.21   0.03  -0.03     0.17   0.06  -0.03
    27   1    -0.00   0.00   0.01    -0.12   0.05   0.01     0.10  -0.08  -0.00
    28   1     0.00   0.00   0.01     0.26   0.08  -0.04     0.46   0.13  -0.07
    29   1     0.44   0.50   0.07    -0.20  -0.03   0.08    -0.05  -0.01   0.03
    30   1    -0.40  -0.46   0.28    -0.21  -0.04  -0.02    -0.05  -0.02  -0.01
    31   1     0.03   0.03   0.28     0.22   0.28  -0.06     0.08   0.11  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1196.1426              1199.4921              1206.3382
 Red. masses --      1.9037                 1.4309                 1.6150
 Frc consts  --      1.6048                 1.2130                 1.3847
 IR Inten    --     10.9382                21.2739                 0.4607
 RamAct Fr= 1--     30.1867                91.4746                 2.7294
  Dep-P Fr= 1--      0.7012                 0.2540                 0.3046
  Dep-U Fr= 1--      0.8243                 0.4052                 0.4670
 Alpha2 Fr= 1--      0.0257                 1.0719                 0.0276
 Beta2  Fr= 1--      4.1474                 6.1770                 0.2124
 AlphaG Fr= 1--      0.0608                 0.2121                 0.0561
 Gamma2 Fr= 1--      5.4346                19.4563                 3.4457
 Delta2 Fr= 1--     -1.3462                -0.2174                -0.0495
 Raman1 Fr= 1--     120.747                365.898                 10.918
 ROA1   Fr= 1--     478.644               1860.850                329.204
 CID1   Fr= 1--       3.964                  5.086                 30.154
 Raman2 Fr= 1--      49.769                 74.125                  2.549
 ROA2   Fr= 1--     141.200                468.691                 83.093
 CID2   Fr= 1--       2.837                  6.323                 32.598
 Raman3 Fr= 1--      99.537                148.249                  5.098
 ROA3   Fr= 1--     478.644               1860.850                329.204
 CID3   Fr= 1--       4.809                 12.552                 64.574
 RC180  Fr= 1--       0.649                 -0.190                 -0.066
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.02  -0.01    -0.03  -0.01   0.00     0.07   0.03  -0.01
     2   6     0.06   0.00  -0.01     0.00  -0.00   0.00     0.09   0.05  -0.02
     3   6     0.00   0.03  -0.01    -0.00  -0.02   0.00    -0.03  -0.02   0.00
     4   6     0.00   0.00   0.03    -0.12   0.06   0.01    -0.02   0.05   0.01
     5   6     0.02  -0.03  -0.00    -0.01  -0.03   0.00    -0.02  -0.01   0.00
     6   6    -0.03  -0.01   0.00     0.01  -0.03   0.00     0.00  -0.05   0.01
     7   6    -0.01  -0.00   0.00     0.04   0.01  -0.01    -0.02  -0.04   0.01
     8   1     0.01   0.03   0.04     0.42   0.11  -0.05    -0.15  -0.06   0.03
     9   1     0.22  -0.21   0.01     0.20  -0.24   0.00    -0.20   0.16   0.01
    10   1    -0.41  -0.12   0.07     0.01  -0.03   0.00     0.06  -0.04  -0.00
    11   6    -0.04  -0.01  -0.11     0.07  -0.04   0.01    -0.01  -0.03  -0.02
    12   6     0.03   0.01   0.04    -0.02   0.03  -0.02     0.02   0.01   0.00
    13   6    -0.03  -0.01   0.19    -0.01   0.02  -0.02    -0.01   0.01   0.03
    14   1    -0.01   0.00  -0.07     0.31  -0.15   0.04     0.08  -0.05   0.01
    15   1    -0.07   0.17   0.05     0.04  -0.09  -0.02    -0.03   0.02   0.02
    16   1    -0.06  -0.10  -0.11     0.03   0.10   0.07    -0.04   0.03  -0.00
    17   1     0.00  -0.09  -0.13    -0.01   0.01   0.07     0.01  -0.05  -0.03
    18   8    -0.05  -0.01  -0.01     0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    19   8     0.07   0.01  -0.04    -0.01  -0.00   0.00     0.01   0.00  -0.01
    20   1     0.17   0.03  -0.54    -0.02  -0.00   0.08     0.04   0.00  -0.11
    21   6    -0.01  -0.00   0.00    -0.03   0.02   0.00     0.01  -0.04   0.00
    22   6     0.06  -0.00  -0.01     0.01   0.01  -0.00    -0.03   0.06  -0.00
    23   6    -0.01   0.01  -0.00    -0.01  -0.02   0.00    -0.02  -0.01   0.00
    24   8    -0.04  -0.03   0.01    -0.02   0.01   0.00    -0.04   0.04   0.00
    25   6     0.00   0.05  -0.01     0.03  -0.02  -0.00     0.09  -0.08  -0.00
    26   1     0.03   0.01  -0.00     0.52   0.15  -0.08    -0.17  -0.09   0.03
    27   1    -0.18   0.15   0.00    -0.30   0.26   0.01     0.12  -0.14   0.00
    28   1    -0.33  -0.09   0.05    -0.12  -0.06   0.02    -0.24  -0.08   0.04
    29   1     0.09   0.01  -0.04    -0.09  -0.00   0.03    -0.36  -0.01   0.12
    30   1     0.09   0.02   0.01    -0.10  -0.01  -0.01    -0.37  -0.03  -0.03
    31   1    -0.12  -0.16   0.03     0.09   0.09  -0.02     0.40   0.48  -0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1262.6288              1297.6505              1303.7685
 Red. masses --      1.8247                 1.7861                 1.4240
 Frc consts  --      1.7139                 1.7720                 1.4261
 IR Inten    --     87.0675                11.5814                23.6716
 RamAct Fr= 1--     46.2376                 5.2302                15.1255
  Dep-P Fr= 1--      0.2598                 0.2118                 0.4772
  Dep-U Fr= 1--      0.4125                 0.3496                 0.6461
 Alpha2 Fr= 1--      0.5330                 0.0688                 0.0828
 Beta2  Fr= 1--      3.1788                 0.3047                 1.6288
 AlphaG Fr= 1--      0.3828                -0.0711                 0.1053
 Gamma2 Fr= 1--      1.2573                -5.3759                 3.9692
 Delta2 Fr= 1--     -1.8290                -0.1296                -3.2495
 Raman1 Fr= 1--     184.950                 20.921                 60.502
 ROA1   Fr= 1--      62.172               -520.237                277.064
 CID1   Fr= 1--       0.336                -24.867                  4.579
 Raman2 Fr= 1--      38.146                  3.657                 19.546
 ROA2   Fr= 1--      44.806               -127.985                121.257
 CID2   Fr= 1--       1.175                -34.999                  6.204
 Raman3 Fr= 1--      76.291                  7.314                 39.092
 ROA3   Fr= 1--      62.172               -520.237                277.064
 CID3   Fr= 1--       0.815                -71.132                  7.088
 RC180  Fr= 1--      -0.175                 -0.301                  0.292
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.15   0.08  -0.03    -0.07   0.13  -0.00    -0.04   0.00   0.00
     2   6    -0.02   0.02   0.00    -0.05   0.15  -0.01    -0.03   0.01   0.00
     3   6    -0.02  -0.03   0.00     0.05  -0.05  -0.00     0.02  -0.01  -0.00
     4   6    -0.07   0.11   0.01    -0.03  -0.01   0.00     0.02  -0.01   0.02
     5   6     0.01  -0.01  -0.00     0.03  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.02  -0.04   0.01    -0.02  -0.06   0.01    -0.00   0.00  -0.00
     7   6     0.01  -0.05   0.00    -0.02  -0.05   0.01    -0.00   0.01  -0.00
     8   1    -0.47  -0.15   0.08     0.51   0.07  -0.07     0.07   0.01   0.02
     9   1     0.16  -0.15   0.00     0.08  -0.05  -0.01     0.04  -0.02   0.02
    10   1     0.21   0.02  -0.03    -0.38  -0.17   0.07    -0.06  -0.01   0.01
    11   6    -0.03  -0.03  -0.01     0.01   0.01   0.02    -0.08  -0.05  -0.11
    12   6     0.03   0.02  -0.01    -0.00   0.01  -0.01     0.01  -0.01   0.06
    13   6    -0.00   0.01  -0.01    -0.00  -0.01   0.01    -0.01   0.03  -0.02
    14   1     0.38  -0.16   0.10    -0.04  -0.10  -0.13     0.40   0.42   0.66
    15   1    -0.05  -0.01   0.03     0.01  -0.04  -0.00    -0.02   0.16   0.03
    16   1    -0.06   0.08   0.02     0.03   0.02   0.01    -0.04  -0.14  -0.10
    17   1     0.02  -0.06  -0.03    -0.00  -0.06   0.03    -0.02   0.03  -0.12
    18   8     0.01  -0.00   0.00    -0.01  -0.00  -0.00     0.05   0.01   0.00
    19   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.01  -0.02
    20   1     0.01   0.00  -0.03     0.01   0.00  -0.03    -0.08  -0.01   0.28
    21   6    -0.03  -0.03   0.01     0.04   0.00  -0.01     0.01   0.00  -0.00
    22   6    -0.05   0.02   0.00     0.01  -0.04   0.00     0.03  -0.03  -0.00
    23   6    -0.05  -0.03   0.01     0.04  -0.05   0.00     0.02  -0.00  -0.00
    24   8     0.07  -0.01  -0.01    -0.02   0.01   0.00    -0.03   0.01   0.00
    25   6    -0.05   0.01   0.00     0.02  -0.00  -0.00     0.02   0.00  -0.00
    26   1    -0.21  -0.13   0.04    -0.42  -0.16   0.07    -0.07  -0.00   0.01
    27   1    -0.26   0.18   0.01     0.04   0.00  -0.01     0.02   0.00  -0.00
    28   1     0.37   0.10  -0.06     0.46   0.08  -0.06     0.05   0.01  -0.01
    29   1     0.13   0.00  -0.03    -0.04   0.00   0.01    -0.05  -0.00   0.01
    30   1     0.14   0.01   0.00    -0.04  -0.00  -0.00    -0.05  -0.00   0.00
    31   1    -0.13  -0.14   0.03     0.03   0.03  -0.01     0.02   0.02  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1307.8195              1328.3309              1344.8662
 Red. masses --      2.5425                 1.7275                 1.8393
 Frc consts  --      2.5621                 1.7959                 1.9600
 IR Inten    --    246.2881               257.6837                 9.7759
 RamAct Fr= 1--     28.9248                 2.7077                 6.3535
  Dep-P Fr= 1--      0.1845                 0.2064                 0.4583
  Dep-U Fr= 1--      0.3116                 0.3422                 0.6286
 Alpha2 Fr= 1--      0.4091                 0.0362                 0.0377
 Beta2  Fr= 1--      1.5021                 0.1544                 0.6656
 AlphaG Fr= 1--      0.1294                 0.0437                 0.0882
 Gamma2 Fr= 1--      1.1053                -0.2258                -1.6271
 Delta2 Fr= 1--     -0.7277                 0.3463                -4.3045
 Raman1 Fr= 1--     115.699                 10.831                 25.414
 ROA1   Fr= 1--      82.822                -10.593               -293.944
 CID1   Fr= 1--       0.716                 -0.978                -11.566
 Raman2 Fr= 1--      18.025                  1.853                  7.987
 ROA2   Fr= 1--      32.349                 -8.189                 -4.614
 CID2   Fr= 1--       1.795                 -4.419                 -0.578
 Raman3 Fr= 1--      36.051                  3.706                 15.974
 ROA3   Fr= 1--      82.822                -10.593               -293.944
 CID3   Fr= 1--       2.297                 -2.858                -18.401
 RC180  Fr= 1--      -0.377                 -0.316                  0.257
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03   0.00     0.00  -0.00  -0.00     0.11   0.01  -0.01
     2   6    -0.11  -0.09   0.02     0.01   0.00  -0.00     0.02  -0.00  -0.00
     3   6     0.02   0.02  -0.00    -0.00  -0.00  -0.00    -0.06   0.04   0.00
     4   6    -0.01   0.00  -0.00     0.00   0.00   0.01    -0.10  -0.03  -0.00
     5   6    -0.00   0.04  -0.00     0.00  -0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
     7   6     0.01   0.09  -0.01    -0.00  -0.01   0.00     0.04   0.01  -0.01
     8   1    -0.28  -0.06   0.04    -0.02  -0.01   0.02     0.14   0.10  -0.03
     9   1     0.24  -0.18  -0.01    -0.03   0.03   0.01    -0.09   0.11  -0.00
    10   1     0.37   0.13  -0.06     0.01   0.00   0.00     0.03  -0.00  -0.01
    11   6     0.02   0.02   0.03    -0.02   0.02  -0.02     0.16  -0.06  -0.04
    12   6     0.00   0.00  -0.02     0.02   0.02  -0.01    -0.06  -0.01   0.05
    13   6    -0.00  -0.01   0.02    -0.02  -0.02   0.19    -0.01   0.01   0.03
    14   1    -0.05  -0.15  -0.18    -0.02  -0.23  -0.27    -0.55   0.52   0.10
    15   1     0.00  -0.04  -0.00    -0.01  -0.08   0.02     0.17   0.07  -0.08
    16   1    -0.01   0.05   0.03    -0.03   0.00  -0.04     0.17  -0.18  -0.04
    17   1     0.01   0.00   0.02     0.01  -0.10  -0.03    -0.06   0.11  -0.04
    18   8    -0.01  -0.00  -0.00     0.05   0.01  -0.03    -0.01  -0.00  -0.01
    19   8     0.00   0.00  -0.01    -0.01  -0.00  -0.13     0.00  -0.00  -0.02
    20   1    -0.01   0.00   0.03    -0.22  -0.03   0.86    -0.03  -0.01   0.14
    21   6     0.03  -0.03  -0.00    -0.00   0.00  -0.00    -0.02  -0.03   0.00
    22   6     0.20  -0.13  -0.01    -0.01   0.01   0.00    -0.02  -0.02   0.00
    23   6     0.02   0.03  -0.01    -0.00  -0.00   0.00    -0.04   0.02   0.00
    24   8    -0.15   0.04   0.01     0.01  -0.00  -0.00     0.02   0.01  -0.00
    25   6     0.09   0.01  -0.01    -0.01  -0.00   0.00    -0.00  -0.01   0.00
    26   1    -0.42  -0.03   0.05     0.04   0.01  -0.00    -0.21  -0.07   0.03
    27   1    -0.24   0.23   0.00     0.02  -0.02   0.00    -0.23   0.16   0.01
    28   1     0.15   0.07  -0.02    -0.01  -0.00   0.00     0.10   0.07  -0.02
    29   1    -0.26  -0.02   0.05     0.02  -0.00  -0.01     0.00   0.00   0.00
    30   1    -0.27  -0.02   0.02     0.02  -0.00   0.00     0.00   0.00  -0.01
    31   1     0.08   0.01  -0.01    -0.01  -0.00   0.00    -0.01  -0.02   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1384.9060              1404.5801              1412.7643
 Red. masses --      2.4156                 2.4699                 1.3958
 Frc consts  --      2.7297                 2.8709                 1.6414
 IR Inten    --     21.4851                 8.3361                 4.8830
 RamAct Fr= 1--     92.7253               108.3875                23.5819
  Dep-P Fr= 1--      0.2035                 0.2073                 0.2574
  Dep-U Fr= 1--      0.3382                 0.3434                 0.4094
 Alpha2 Fr= 1--      1.2474                 1.4436                 0.2738
 Beta2  Fr= 1--      5.2272                 6.2034                 1.6090
 AlphaG Fr= 1--     -0.5847                 0.4091                 0.1706
 Gamma2 Fr= 1--     -1.4641                 1.0581                 3.0260
 Delta2 Fr= 1--      8.4909                 2.9341                 2.0267
 Raman1 Fr= 1--     370.901                433.550                 94.328
 ROA1   Fr= 1--     131.151                195.470                355.352
 CID1   Fr= 1--       0.354                  0.451                  3.767
 Raman2 Fr= 1--      62.727                 74.441                 19.308
 ROA2   Fr= 1--    -103.067                  1.922                 56.411
 CID2   Fr= 1--      -1.643                  0.026                  2.922
 Raman3 Fr= 1--     125.453                148.882                 38.616
 ROA3   Fr= 1--     131.151                195.470                355.352
 CID3   Fr= 1--       1.045                  1.313                  9.202
 RC180  Fr= 1--      -0.324                 -0.313                 -0.181
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.12  -0.01    -0.03  -0.08   0.01     0.01  -0.03   0.00
     2   6    -0.04  -0.05   0.01    -0.07   0.14  -0.01     0.02   0.02  -0.00
     3   6     0.06  -0.08   0.00     0.07   0.00  -0.01    -0.05  -0.02   0.01
     4   6     0.02   0.09  -0.02    -0.03   0.07  -0.01     0.03   0.04  -0.01
     5   6     0.01   0.03  -0.00    -0.05   0.04   0.00     0.04  -0.04  -0.00
     6   6    -0.08  -0.03   0.01     0.00  -0.09   0.01    -0.03   0.01   0.00
     7   6    -0.13  -0.05   0.02     0.10  -0.03  -0.01    -0.04   0.02   0.00
     8   1    -0.00  -0.10   0.01    -0.43  -0.14   0.06     0.12   0.02  -0.01
     9   1     0.32  -0.25  -0.01     0.32  -0.32  -0.00    -0.08   0.08   0.00
    10   1     0.45   0.13  -0.07    -0.00  -0.10   0.01    -0.02   0.02  -0.00
    11   6     0.05  -0.05  -0.01     0.05  -0.04  -0.01    -0.00  -0.00  -0.01
    12   6    -0.02  -0.00   0.02     0.00  -0.05  -0.00     0.03  -0.11  -0.04
    13   6    -0.00   0.00   0.01    -0.01   0.00   0.02    -0.01  -0.00   0.02
    14   1    -0.41   0.27   0.02    -0.25   0.17   0.00    -0.07   0.04  -0.01
    15   1     0.05   0.04  -0.02    -0.07   0.21  -0.02    -0.30   0.46   0.01
    16   1     0.05  -0.06  -0.01    -0.08   0.12   0.13    -0.21   0.34   0.31
    17   1    -0.02   0.02  -0.02     0.03   0.27   0.05     0.09   0.51   0.21
    18   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    19   8     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00   0.00  -0.01
    20   1    -0.01  -0.00   0.03    -0.01   0.00   0.05    -0.01  -0.01   0.03
    21   6     0.06  -0.03  -0.00    -0.12   0.09   0.00     0.04  -0.02  -0.00
    22   6     0.09   0.17  -0.03    -0.06  -0.07   0.01     0.02  -0.00  -0.00
    23   6    -0.00  -0.10   0.01     0.17   0.03  -0.02    -0.05  -0.02   0.01
    24   8    -0.02  -0.03   0.00    -0.01  -0.01   0.00     0.00   0.01  -0.00
    25   6    -0.01   0.03  -0.00    -0.01  -0.01   0.00     0.01   0.00  -0.00
    26   1     0.24   0.06  -0.03     0.02  -0.06   0.00     0.09   0.06  -0.02
    27   1     0.26  -0.21  -0.01     0.22  -0.22  -0.00    -0.06   0.08  -0.00
    28   1    -0.09  -0.14   0.03    -0.20  -0.08   0.03     0.17   0.05  -0.03
    29   1     0.00  -0.03  -0.03     0.07   0.01  -0.00    -0.04  -0.00   0.00
    30   1     0.01  -0.02   0.04     0.07   0.01  -0.02    -0.04  -0.00   0.01
    31   1    -0.07  -0.08   0.02     0.08   0.14  -0.02    -0.02  -0.05   0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1415.7581              1454.4901              1480.3465
 Red. masses --      3.3086                 3.8071                 1.2123
 Frc consts  --      3.9073                 4.7453                 1.5653
 IR Inten    --      6.2735                 0.6858                 6.9812
 RamAct Fr= 1--    450.2246               261.2091                 9.8029
  Dep-P Fr= 1--      0.2070                 0.2572                 0.4471
  Dep-U Fr= 1--      0.3430                 0.4092                 0.6180
 Alpha2 Fr= 1--      6.0008                 3.0334                 0.0608
 Beta2  Fr= 1--     25.7413                17.8152                 1.0096
 AlphaG Fr= 1--      3.3745                -0.1747                 0.0395
 Gamma2 Fr= 1--      4.9349                 7.7328                -0.8848
 Delta2 Fr= 1--     -7.1264                -1.5144                 0.3041
 Raman1 Fr= 1--    1800.898               1044.836                 39.212
 ROA1   Fr= 1--     245.700                693.886                -75.209
 CID1   Fr= 1--       0.136                  0.664                 -1.918
 Raman2 Fr= 1--     308.896                213.783                 12.115
 ROA2   Fr= 1--     175.448                197.702                -23.668
 CID2   Fr= 1--       0.568                  0.925                 -1.954
 Raman3 Fr= 1--     617.792                427.565                 24.231
 ROA3   Fr= 1--     245.700                693.886                -75.209
 CID3   Fr= 1--       0.398                  1.623                 -3.104
 RC180  Fr= 1--      -0.314                 -0.182                  0.236
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.21  -0.02    -0.17   0.02   0.02    -0.02  -0.00   0.00
     2   6     0.03  -0.19   0.02     0.18  -0.04  -0.02     0.01  -0.01  -0.00
     3   6     0.12   0.06  -0.02     0.14  -0.04  -0.01    -0.02  -0.01   0.00
     4   6    -0.11  -0.16   0.03     0.01   0.16  -0.02     0.03   0.01  -0.00
     5   6    -0.13   0.10   0.00    -0.15  -0.04   0.02     0.01   0.01  -0.00
     6   6     0.14   0.01  -0.02     0.16  -0.00  -0.02    -0.03  -0.00   0.00
     7   6     0.03  -0.06   0.00    -0.10   0.02   0.01    -0.01   0.03  -0.00
     8   1     0.10   0.07  -0.02    -0.45  -0.21   0.07     0.06   0.01  -0.01
     9   1     0.04  -0.08   0.01     0.00  -0.21   0.02     0.05  -0.03  -0.00
    10   1     0.06  -0.03  -0.00    -0.25  -0.14   0.04     0.08   0.03  -0.01
    11   6     0.02   0.02  -0.01     0.03  -0.05   0.00    -0.01   0.00   0.00
    12   6     0.01  -0.07  -0.04    -0.00   0.02   0.02     0.00   0.00  -0.00
    13   6    -0.01  -0.00   0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   1     0.25  -0.10   0.01    -0.28   0.13  -0.00    -0.02   0.01   0.00
    15   1    -0.17   0.30  -0.01     0.05  -0.07   0.01    -0.03  -0.01   0.02
    16   1    -0.10   0.24   0.23    -0.03  -0.04  -0.06    -0.00  -0.02  -0.02
    17   1     0.06   0.34   0.16    -0.01  -0.03  -0.08     0.00  -0.00   0.03
    18   8     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1    -0.01   0.00   0.03    -0.01   0.01   0.02    -0.00  -0.00   0.00
    21   6    -0.02  -0.03   0.00     0.13   0.03  -0.02     0.04  -0.04  -0.00
    22   6    -0.03   0.06  -0.00    -0.06  -0.16   0.02     0.01  -0.00  -0.00
    23   6     0.00   0.03  -0.00    -0.14   0.06   0.01     0.01   0.01  -0.00
    24   8     0.02  -0.01  -0.00     0.02   0.04  -0.01    -0.04  -0.01   0.01
    25   6    -0.02  -0.01   0.00     0.01  -0.02   0.00    -0.07  -0.06   0.01
    26   1    -0.36  -0.18   0.06     0.14   0.10  -0.03    -0.09   0.01   0.01
    27   1    -0.02  -0.04   0.01    -0.09   0.25  -0.02    -0.15   0.14   0.00
    28   1    -0.35  -0.08   0.05     0.30   0.22  -0.06    -0.04  -0.01   0.01
    29   1     0.07   0.01  -0.01    -0.03   0.05   0.05     0.46   0.27   0.09
    30   1     0.07   0.01  -0.01    -0.05   0.04  -0.05     0.42   0.23  -0.25
    31   1     0.02   0.06  -0.01     0.02  -0.00  -0.00     0.26   0.50  -0.08
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1496.2050              1497.7976              1506.3530
 Red. masses --      1.0465                 1.0488                 1.0590
 Frc consts  --      1.3803                 1.3863                 1.4158
 IR Inten    --      8.0745                11.0270                48.3089
 RamAct Fr= 1--     10.4576                 3.3659                13.1230
  Dep-P Fr= 1--      0.7499                 0.7422                 0.4795
  Dep-U Fr= 1--      0.8571                 0.8520                 0.6482
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0711
 Beta2  Fr= 1--      1.4938                 0.4780                 1.4177
 AlphaG Fr= 1--      0.0022                 0.0108                -0.0103
 Gamma2 Fr= 1--     -0.0311                 1.0197                 0.2901
 Delta2 Fr= 1--      0.0086                -1.0692                 0.0573
 Raman1 Fr= 1--      41.830                 13.463                 52.492
 ROA1   Fr= 1--      -2.708                 63.677                 29.688
 CID1   Fr= 1--      -0.065                  4.730                  0.566
 Raman2 Fr= 1--      17.926                  5.736                 17.013
 ROA2   Fr= 1--      -0.814                 33.027                  6.505
 CID2   Fr= 1--      -0.045                  5.758                  0.382
 Raman3 Fr= 1--      35.852                 11.471                 34.025
 ROA3   Fr= 1--      -2.708                 63.677                 29.688
 CID3   Fr= 1--      -0.076                  5.551                  0.873
 RC180  Fr= 1--       0.714                  0.704                  0.296
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01  -0.01   0.00
     5   6    -0.00  -0.00  -0.00     0.01  -0.01   0.00    -0.00   0.01  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.01  -0.01   0.00
     7   6     0.00  -0.00   0.00    -0.01  -0.00   0.00     0.01  -0.00  -0.00
     8   1    -0.00  -0.00   0.00    -0.01  -0.00   0.01     0.02   0.01  -0.00
     9   1    -0.00   0.00   0.00    -0.03   0.02   0.00     0.03  -0.02  -0.00
    10   1    -0.00  -0.00   0.00    -0.03  -0.00   0.00     0.04   0.01  -0.01
    11   6    -0.00  -0.00   0.00    -0.02   0.00   0.01    -0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.03  -0.03   0.03    -0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00  -0.00     0.04  -0.07  -0.02     0.00  -0.00   0.00
    15   1     0.00   0.00  -0.00     0.55   0.25  -0.33     0.01   0.02  -0.01
    16   1     0.00   0.00   0.00     0.06   0.30   0.38     0.02   0.01   0.02
    17   1    -0.00  -0.00  -0.00    -0.08  -0.13  -0.49    -0.00  -0.01  -0.00
    18   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.00  -0.01   0.00    -0.00  -0.00   0.00
    21   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.02   0.01   0.00
    23   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    24   8    -0.00  -0.00  -0.01    -0.00  -0.00   0.00     0.02  -0.01  -0.00
    25   6    -0.01  -0.01  -0.06    -0.00  -0.00   0.00     0.03  -0.04   0.00
    26   1     0.00   0.00   0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    27   1    -0.00  -0.00  -0.02     0.01  -0.01  -0.00     0.01  -0.01   0.00
    28   1    -0.00  -0.00  -0.00     0.01   0.00  -0.00    -0.03  -0.01   0.01
    29   1    -0.47   0.10   0.12     0.03   0.01  -0.00    -0.14   0.53   0.34
    30   1     0.48  -0.08   0.02     0.03   0.01  -0.01    -0.23   0.46  -0.40
    31   1     0.08   0.07   0.71     0.02   0.04  -0.01    -0.17  -0.35   0.05
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1510.1466              1525.0152              1545.9510
 Red. masses --      1.0532                 2.4713                 3.3862
 Frc consts  --      1.4152                 3.3863                 4.7682
 IR Inten    --      8.7097                19.5819                81.9530
 RamAct Fr= 1--      9.2328               118.6403                18.1979
  Dep-P Fr= 1--      0.4086                 0.2648                 0.1573
  Dep-U Fr= 1--      0.5801                 0.4187                 0.2718
 Alpha2 Fr= 1--      0.0663                 1.3487                 0.2761
 Beta2  Fr= 1--      0.8927                 8.2784                 0.8245
 AlphaG Fr= 1--      0.1911                 0.2294                 0.4488
 Gamma2 Fr= 1--      1.6074                 3.0214                 2.6455
 Delta2 Fr= 1--      1.9120                -0.1571                -0.3401
 Raman1 Fr= 1--      36.931                474.561                 72.791
 ROA1   Fr= 1--     215.496                285.033                243.084
 CID1   Fr= 1--       5.835                  0.601                  3.339
 Raman2 Fr= 1--      10.713                 99.341                  9.894
 ROA2   Fr= 1--      23.282                 73.771                 66.213
 CID2   Fr= 1--       2.173                  0.743                  6.692
 Raman3 Fr= 1--      21.426                198.682                 19.787
 ROA3   Fr= 1--     215.496                285.033                243.084
 CID3   Fr= 1--      10.058                  1.435                 12.285
 RC180  Fr= 1--       0.160                 -0.163                 -0.456
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.06  -0.01   0.01    -0.15  -0.04   0.02
     2   6     0.01  -0.00  -0.00     0.14   0.03  -0.02    -0.11  -0.05   0.02
     3   6    -0.00  -0.00  -0.00    -0.08  -0.03   0.01     0.02  -0.07   0.00
     4   6     0.01   0.01   0.00     0.13  -0.05  -0.01     0.02   0.16  -0.02
     5   6    -0.00  -0.00   0.00    -0.06   0.12  -0.01     0.04  -0.12   0.01
     6   6    -0.00  -0.00  -0.00    -0.13  -0.09   0.02     0.07   0.08  -0.02
     7   6    -0.00  -0.00   0.00     0.06   0.04  -0.01     0.16   0.11  -0.03
     8   1    -0.05  -0.02   0.01     0.27   0.06  -0.04    -0.07  -0.11   0.02
     9   1     0.01  -0.01   0.00     0.39  -0.29  -0.01    -0.20   0.10   0.01
    10   1     0.00  -0.00  -0.00     0.45   0.07  -0.06    -0.25  -0.01   0.03
    11   6    -0.02  -0.00  -0.02    -0.04   0.01   0.01     0.00  -0.03   0.00
    12   6    -0.03   0.01  -0.04    -0.00  -0.00   0.00     0.00   0.00   0.00
    13   6    -0.00  -0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
    14   1     0.02   0.02   0.02     0.01  -0.02  -0.00    -0.13   0.05  -0.01
    15   1    -0.09   0.37  -0.07     0.07   0.01  -0.04     0.02   0.03  -0.01
    16   1     0.64  -0.05   0.21    -0.02   0.03   0.03     0.02   0.01   0.02
    17   1     0.00  -0.42   0.46    -0.01  -0.02  -0.08    -0.00  -0.03  -0.01
    18   8     0.01   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.01    -0.01  -0.01   0.01    -0.00   0.01   0.01
    21   6     0.00   0.01  -0.00     0.05  -0.05  -0.00     0.04  -0.16   0.01
    22   6    -0.00  -0.01   0.00    -0.14  -0.02   0.02    -0.09   0.17  -0.01
    23   6    -0.00   0.00  -0.00     0.02   0.05  -0.01     0.10  -0.03  -0.01
    24   8    -0.00   0.00  -0.00     0.04   0.01  -0.01     0.03  -0.02  -0.00
    25   6    -0.00   0.00  -0.00     0.02   0.02  -0.00     0.01   0.02  -0.00
    26   1     0.01   0.00  -0.00    -0.23  -0.04   0.03    -0.50  -0.08   0.07
    27   1     0.01   0.00  -0.00    -0.26   0.23   0.01    -0.40   0.22   0.02
    28   1     0.00   0.01  -0.00    -0.12   0.02   0.01    -0.29  -0.15   0.05
    29   1     0.00  -0.01  -0.01    -0.13  -0.18  -0.09    -0.09  -0.07  -0.03
    30   1     0.00  -0.01   0.01    -0.10  -0.16   0.15    -0.08  -0.06   0.07
    31   1     0.00   0.01  -0.00    -0.05  -0.11   0.02    -0.07  -0.13   0.02
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1609.0419              1653.7307              1676.1153
 Red. masses --      6.7411                 5.6835                 6.2586
 Frc consts  --     10.2828                 9.1579                10.3595
 IR Inten    --      9.3939               114.6948                58.0548
 RamAct Fr= 1--     63.5489                 7.2629               353.5949
  Dep-P Fr= 1--      0.5197                 0.7436                 0.3804
  Dep-U Fr= 1--      0.6839                 0.8529                 0.5512
 Alpha2 Fr= 1--      0.2854                 0.0008                 2.8049
 Beta2  Fr= 1--      7.2438                 1.0325                32.4822
 AlphaG Fr= 1--      0.5968                 0.0144                 1.4918
 Gamma2 Fr= 1--     -1.9004                -1.7720                 8.4634
 Delta2 Fr= 1--     -3.6445                -5.1145                -0.6067
 Raman1 Fr= 1--     254.195                 29.052               1414.380
 ROA1   Fr= 1--    -299.062               -333.775                793.072
 CID1   Fr= 1--      -1.177                -11.489                  0.561
 Raman2 Fr= 1--      86.926                 12.390                389.786
 ROA2   Fr= 1--     -16.453                 -1.611                207.976
 CID2   Fr= 1--      -0.189                 -0.130                  0.534
 Raman3 Fr= 1--     173.852                 24.779                779.572
 ROA3   Fr= 1--    -299.062               -333.775                793.072
 CID3   Fr= 1--      -1.720                -13.470                  1.017
 RC180  Fr= 1--       0.368                  0.706                  0.102
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.28  -0.03    -0.01   0.03  -0.00     0.25   0.06  -0.04
     2   6     0.07  -0.27   0.02    -0.03  -0.01   0.00    -0.25  -0.05   0.03
     3   6    -0.13  -0.16   0.03     0.20   0.09  -0.03    -0.22  -0.08   0.04
     4   6     0.08   0.21  -0.03    -0.20  -0.08   0.03     0.15   0.07  -0.03
     5   6     0.15  -0.15  -0.00     0.23  -0.08  -0.02    -0.17   0.05   0.01
     6   6    -0.14   0.09   0.01    -0.22   0.02   0.02     0.23   0.02  -0.03
     7   6     0.13  -0.11  -0.00    -0.21  -0.01   0.03    -0.24  -0.04   0.03
     8   1     0.37  -0.02  -0.04    -0.31  -0.04   0.04     0.34   0.07  -0.05
     9   1    -0.14   0.15  -0.00    -0.18   0.33  -0.02     0.10  -0.21   0.01
    10   1     0.15   0.19  -0.04     0.17   0.15  -0.04    -0.26  -0.13   0.05
    11   6    -0.01  -0.02   0.00     0.03   0.01  -0.01    -0.01  -0.01   0.01
    12   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.01  -0.00   0.01     0.01   0.00  -0.00
    14   1    -0.14   0.05  -0.01     0.09  -0.02   0.01    -0.08   0.02  -0.01
    15   1     0.01   0.00   0.00    -0.02  -0.00   0.00     0.01  -0.00  -0.00
    16   1    -0.04   0.02   0.00     0.01  -0.01  -0.00    -0.02   0.01  -0.00
    17   1     0.00   0.00  -0.04     0.00   0.03   0.03    -0.00  -0.01  -0.02
    18   8    -0.00  -0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00   0.01     0.01   0.00  -0.02    -0.01  -0.01   0.03
    21   6    -0.19   0.19   0.00     0.20  -0.04  -0.02     0.16  -0.03  -0.02
    22   6    -0.02  -0.24   0.03    -0.21  -0.12   0.04    -0.14  -0.08   0.03
    23   6     0.06   0.16  -0.02     0.22   0.11  -0.04     0.22   0.08  -0.04
    24   8    -0.01   0.02  -0.00     0.02   0.02  -0.00     0.00   0.01  -0.00
    25   6     0.01  -0.01   0.00     0.02   0.00  -0.00     0.02   0.00  -0.00
    26   1    -0.10  -0.19   0.03     0.19   0.12  -0.04     0.29   0.12  -0.05
    27   1     0.25  -0.22  -0.01    -0.14   0.28  -0.01    -0.06   0.18  -0.01
    28   1    -0.21   0.08   0.02    -0.31  -0.04   0.04    -0.29  -0.08   0.04
    29   1    -0.00   0.01   0.01    -0.07  -0.06  -0.02    -0.05  -0.04  -0.02
    30   1    -0.01   0.01  -0.02    -0.06  -0.05   0.05    -0.04  -0.03   0.04
    31   1     0.03   0.03  -0.01     0.00  -0.03   0.00     0.01  -0.02   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1834.3318              3010.9878              3045.5518
 Red. masses --     10.0647                 1.0347                 1.0362
 Frc consts  --     19.9530                 5.5267                 5.6625
 IR Inten    --    486.0353                64.9745                12.5647
 RamAct Fr= 1--     18.0306               279.3416               200.6352
  Dep-P Fr= 1--      0.3054                 0.0492                 0.0211
  Dep-U Fr= 1--      0.4680                 0.0937                 0.0414
 Alpha2 Fr= 1--      0.1819                 5.5287                 4.2432
 Beta2  Fr= 1--      1.4062                 4.3640                 1.3847
 AlphaG Fr= 1--      0.4446                 0.6898                 0.0256
 Gamma2 Fr= 1--      1.8377                 2.2165                 1.4550
 Delta2 Fr= 1--      0.4795                -1.0336                -0.0601
 Raman1 Fr= 1--      72.122               1117.366                802.541
 ROA1   Fr= 1--     191.762                179.707                137.759
 CID1   Fr= 1--       2.659                  0.161                  0.172
 Raman2 Fr= 1--      16.875                 52.368                 16.616
 ROA2   Fr= 1--      40.269                 61.464                 35.401
 CID2   Fr= 1--       2.386                  1.174                  2.131
 Raman3 Fr= 1--      33.750                104.736                 33.233
 ROA3   Fr= 1--     191.762                179.707                137.759
 CID3   Fr= 1--       5.682                  1.716                  4.145
 RC180  Fr= 1--      -0.064                 -0.813                 -0.917
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   1    -0.01  -0.00  -0.01    -0.00   0.00  -0.00     0.01  -0.02   0.00
     9   1    -0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.04  -0.01  -0.02     0.00   0.00  -0.00     0.00   0.01  -0.01
    12   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.05  -0.01
    13   6     0.71   0.16   0.06    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1     0.14   0.05   0.12    -0.00  -0.00   0.00    -0.05  -0.08   0.08
    15   1    -0.06   0.06   0.01     0.00   0.00   0.00     0.25   0.10   0.51
    16   1     0.00   0.00   0.02     0.00   0.00  -0.00     0.20   0.46  -0.45
    17   1     0.02   0.03   0.05    -0.00   0.00   0.00    -0.44   0.02   0.05
    18   8    -0.45  -0.10  -0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8    -0.05  -0.01  -0.03    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.09  -0.02   0.44     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    25   6    -0.00  -0.00   0.00     0.01   0.05  -0.01    -0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00   0.00     0.02   0.02  -0.00    -0.00  -0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    29   1     0.00   0.00   0.00     0.11  -0.31   0.59    -0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00    -0.02  -0.43  -0.52     0.00   0.00   0.00
    31   1    -0.00  -0.00   0.00    -0.25   0.15   0.01     0.00  -0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3064.0151              3068.1186              3109.2535
 Red. masses --      1.0830                 1.1060                 1.1017
 Frc consts  --      5.9906                 6.1341                 6.2749
 IR Inten    --      5.6360                34.3698                18.9957
 RamAct Fr= 1--     86.9694                85.1785                50.7086
  Dep-P Fr= 1--      0.2909                 0.7499                 0.3430
  Dep-U Fr= 1--      0.4507                 0.8571                 0.5108
 Alpha2 Fr= 1--      0.9164                 0.0002                 0.4554
 Beta2  Fr= 1--      6.5330                12.1671                 4.3167
 AlphaG Fr= 1--      1.9664                 0.0612                -1.5631
 Gamma2 Fr= 1--     -3.9156                 3.3564                 2.0729
 Delta2 Fr= 1--      1.7270                 2.7523                 0.1356
 Raman1 Fr= 1--     347.878                340.714                202.834
 ROA1   Fr= 1--    -320.639                410.284                203.335
 CID1   Fr= 1--      -0.922                  1.204                  1.002
 Raman2 Fr= 1--      78.396                146.005                 51.801
 ROA2   Fr= 1--    -107.791                 58.534                 48.665
 CID2   Fr= 1--      -1.375                  0.401                  0.939
 Raman3 Fr= 1--     156.792                292.011                103.602
 ROA3   Fr= 1--    -320.639                410.284                203.335
 CID3   Fr= 1--      -2.045                  1.405                  1.963
 RC180  Fr= 1--      -0.099                  0.714                  0.022
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.01   0.04  -0.00
     9   1     0.02   0.01  -0.00    -0.00  -0.00  -0.00     0.01   0.01  -0.00
    10   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.03   0.05  -0.05    -0.00  -0.00   0.00     0.01   0.01  -0.01
    12   6    -0.01   0.00   0.02     0.00  -0.00   0.00     0.01   0.03  -0.09
    13   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.39  -0.63   0.63     0.00   0.00  -0.00    -0.08  -0.13   0.12
    15   1    -0.08  -0.03  -0.15     0.00   0.00   0.00     0.30   0.13   0.56
    16   1     0.02   0.04  -0.04     0.00   0.00  -0.00    -0.21  -0.49   0.46
    17   1     0.14  -0.01  -0.01    -0.00   0.00   0.00    -0.19   0.02   0.00
    18   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    19   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    23   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    24   8     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    25   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.09     0.00  -0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    29   1    -0.00   0.00  -0.00     0.13  -0.35   0.60     0.00   0.00  -0.00
    30   1     0.00   0.00   0.00     0.01   0.47   0.53     0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.02    -0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3127.1829              3137.9212              3164.5384
 Red. masses --      1.1022                 1.0990                 1.0866
 Frc consts  --      6.3505                 6.3758                 6.4109
 IR Inten    --     14.9032                22.8755                 3.1473
 RamAct Fr= 1--    122.1175               181.4843                72.4842
  Dep-P Fr= 1--      0.5345                 0.4321                 0.6170
  Dep-U Fr= 1--      0.6967                 0.6034                 0.7631
 Alpha2 Fr= 1--      0.5081                 1.1937                 0.1767
 Beta2  Fr= 1--     14.1790                18.2526                 9.2192
 AlphaG Fr= 1--      0.5101                -0.2215                -0.0248
 Gamma2 Fr= 1--     -4.5606                -1.0974                -0.1157
 Delta2 Fr= 1--      5.0176                -1.2904                 2.4090
 Raman1 Fr= 1--     488.470                725.937                289.937
 ROA1   Fr= 1--    -277.255               -146.642                 65.977
 CID1   Fr= 1--      -0.568                 -0.202                  0.228
 Raman2 Fr= 1--     170.148                219.031                110.630
 ROA2   Fr= 1--    -149.595                -16.013                -22.050
 CID2   Fr= 1--      -0.879                 -0.073                 -0.199
 Raman3 Fr= 1--     340.296                438.062                221.261
 ROA3   Fr= 1--    -277.255               -146.642                 65.977
 CID3   Fr= 1--      -0.815                 -0.335                  0.298
 RC180  Fr= 1--       0.393                  0.207                  0.526
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.05  -0.05   0.01
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.05  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.01  -0.02   0.00     0.00  -0.00   0.00     0.01  -0.02   0.00
     9   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.55   0.58  -0.13
    10   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.16  -0.55   0.04
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.09  -0.01  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    14   1     0.02   0.03  -0.03    -0.00  -0.00   0.00     0.01   0.01  -0.01
    15   1     0.19   0.08   0.41    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1     0.04   0.12  -0.12    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1     0.86  -0.06  -0.10    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    19   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    21   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.07   0.06   0.00    -0.00   0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
    27   1     0.00   0.00  -0.00     0.02   0.02  -0.00     0.00   0.00  -0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.03  -0.00
    29   1     0.00  -0.00   0.00     0.02  -0.08   0.17     0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00    -0.02  -0.11  -0.15    -0.00  -0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.83  -0.48  -0.05     0.00  -0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3171.0395              3178.0131              3182.4575
 Red. masses --      1.0892                 1.0888                 1.0946
 Frc consts  --      6.4529                 6.4790                 6.5319
 IR Inten    --      3.9443                11.7276                 9.2907
 RamAct Fr= 1--     39.5780                65.4004               144.9057
  Dep-P Fr= 1--      0.4645                 0.3761                 0.1744
  Dep-U Fr= 1--      0.6343                 0.5466                 0.2970
 Alpha2 Fr= 1--      0.2286                 0.5266                 2.1043
 Beta2  Fr= 1--      4.1843                 5.9576                 7.1731
 AlphaG Fr= 1--      0.0716                 0.1427                -0.0233
 Gamma2 Fr= 1--      0.3124                 1.6515                -1.3792
 Delta2 Fr= 1--     -0.8451                 1.8569                -1.4805
 Raman1 Fr= 1--     158.312                261.602                579.623
 ROA1   Fr= 1--       2.949                217.965               -179.778
 CID1   Fr= 1--       0.019                  0.833                 -0.310
 Raman2 Fr= 1--      50.211                 71.492                 86.077
 ROA2   Fr= 1--      14.259                 24.782                -21.257
 CID2   Fr= 1--       0.284                  0.347                 -0.247
 Raman3 Fr= 1--     100.422                142.983                172.154
 ROA3   Fr= 1--       2.949                217.965               -179.778
 CID3   Fr= 1--       0.029                  1.524                 -1.044
 RC180  Fr= 1--       0.269                  0.093                 -0.406
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.01   0.02  -0.00     0.02  -0.08   0.00    -0.00   0.01  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.04  -0.03   0.01
     6   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.02  -0.07   0.00
     7   6     0.02  -0.08   0.01     0.01  -0.02   0.00    -0.00   0.00  -0.00
     8   1     0.07  -0.24   0.01    -0.27   0.91  -0.05     0.04  -0.14   0.01
     9   1    -0.01  -0.01   0.00     0.07   0.08  -0.02     0.38   0.40  -0.09
    10   1     0.00  -0.01   0.00    -0.03   0.10  -0.01    -0.23   0.75  -0.05
    11   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01   0.01  -0.01
    15   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.00  -0.01   0.01     0.02   0.04  -0.03    -0.00  -0.00   0.00
    17   1    -0.01   0.00   0.00     0.02  -0.00  -0.00    -0.00  -0.00  -0.00
    18   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.02  -0.00
    24   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    26   1    -0.27   0.91  -0.06    -0.07   0.23  -0.02     0.00  -0.01   0.00
    27   1    -0.11  -0.13   0.03    -0.03  -0.04   0.01     0.00   0.01  -0.00
    28   1    -0.01   0.04  -0.00    -0.00   0.01  -0.00     0.06  -0.20   0.01
    29   1     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3188.9464              3216.3957              3679.3945
 Red. masses --      1.0905                 1.0911                 1.0651
 Frc consts  --      6.5337                 6.6508                 8.4957
 IR Inten    --      5.6399                 6.5028               204.1033
 RamAct Fr= 1--    170.2707               139.2766               239.9956
  Dep-P Fr= 1--      0.2281                 0.2285                 0.2702
  Dep-U Fr= 1--      0.3715                 0.3720                 0.4255
 Alpha2 Fr= 1--      2.1440                 1.7517                 2.6859
 Beta2  Fr= 1--     10.5418                 8.6355                17.0184
 AlphaG Fr= 1--     -0.2387                 0.1743                 5.2161
 Gamma2 Fr= 1--     -3.1617                 1.8234                54.5455
 Delta2 Fr= 1--     -0.8665                 0.7372                 7.1556
 Raman1 Fr= 1--     681.083                557.106                959.982
 ROA1   Fr= 1--    -331.255                198.635               5465.348
 CID1   Fr= 1--      -0.486                  0.357                  5.693
 Raman2 Fr= 1--     126.501                103.626                204.221
 ROA2   Fr= 1--     -68.949                 37.864               1251.848
 CID2   Fr= 1--      -0.545                  0.365                  6.130
 Raman3 Fr= 1--     253.003                207.252                408.442
 ROA3   Fr= 1--    -331.255                198.635               5465.348
 CID3   Fr= 1--      -1.309                  0.958                 13.381
 RC180  Fr= 1--      -0.257                 -0.256                 -0.149
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.01  -0.02   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.02   0.00     0.00  -0.00  -0.00
     8   1     0.01  -0.03   0.00    -0.00   0.01  -0.00     0.00   0.00  -0.00
     9   1     0.06   0.06  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   1    -0.05   0.18  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.01  -0.01
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.96   0.15   0.21
    21   6    -0.00   0.00   0.00    -0.06  -0.06   0.01    -0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6     0.03  -0.08   0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.01  -0.05   0.00    -0.05   0.17  -0.01    -0.00   0.00  -0.00
    27   1     0.00   0.00  -0.00     0.65   0.71  -0.15     0.00   0.00  -0.00
    28   1    -0.30   0.92  -0.06    -0.00   0.01  -0.00     0.00  -0.00   0.00
    29   1     0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    30   1     0.00   0.00   0.00    -0.00   0.01   0.02     0.00   0.00   0.00
    31   1     0.00  -0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1250.191378874.316409286.09398
           X            0.99994  -0.00027  -0.01089
           Y            0.00030   1.00000   0.00290
           Z            0.01089  -0.00290   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06928     0.00976     0.00933
 Rotational constants (GHZ):           1.44357     0.20337     0.19435
 Zero-point vibrational energy     658483.7 (Joules/Mol)
                                  157.38137 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     33.13    56.45    66.43   107.94   181.84
          (Kelvin)            194.72   262.73   310.98   323.34   347.92
                              374.47   400.62   446.60   498.02   561.55
                              600.18   633.28   656.26   697.45   770.78
                              814.49   823.69   861.97   894.91   926.70
                              994.26  1029.80  1080.56  1107.52  1128.65
                             1170.69  1180.90  1204.33  1229.81  1293.18
                             1320.89  1350.34  1367.35  1403.86  1409.20
                             1457.78  1539.00  1550.13  1570.33  1676.10
                             1687.05  1699.87  1709.17  1720.98  1725.80
                             1735.65  1816.64  1867.03  1875.83  1881.66
                             1911.17  1934.96  1992.57  2020.88  2032.65
                             2036.96  2092.69  2129.89  2152.71  2155.00
                             2167.31  2172.76  2194.16  2224.28  2315.05
                             2379.35  2411.56  2639.19  4332.14  4381.87
                             4408.43  4414.34  4473.52  4499.32  4514.77
                             4553.06  4562.42  4572.45  4578.85  4588.18
                             4627.68  5293.83
 
 Zero-point correction=                           0.250803 (Hartree/Particle)
 Thermal correction to Energy=                    0.266010
 Thermal correction to Enthalpy=                  0.266954
 Thermal correction to Gibbs Free Energy=         0.206996
 Sum of electronic and zero-point Energies=           -767.719224
 Sum of electronic and thermal Energies=              -767.704017
 Sum of electronic and thermal Enthalpies=            -767.703073
 Sum of electronic and thermal Free Energies=         -767.763031
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.924             58.559            126.192
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             32.999
 Vibrational            165.147             52.597             50.992
 Vibration     1          0.593              1.985              6.355
 Vibration     2          0.594              1.981              5.297
 Vibration     3          0.595              1.979              4.975
 Vibration     4          0.599              1.966              4.017
 Vibration     5          0.611              1.927              3.000
 Vibration     6          0.613              1.918              2.869
 Vibration     7          0.630              1.863              2.302
 Vibration     8          0.645              1.816              1.991
 Vibration     9          0.649              1.803              1.921
 Vibration    10          0.658              1.776              1.789
 Vibration    11          0.668              1.745              1.660
 Vibration    12          0.679              1.713              1.543
 Vibration    13          0.699              1.654              1.360
 Vibration    14          0.724              1.583              1.184
 Vibration    15          0.758              1.491              0.999
 Vibration    16          0.780              1.433              0.902
 Vibration    17          0.800              1.383              0.826
 Vibration    18          0.814              1.347              0.777
 Vibration    19          0.841              1.284              0.697
 Vibration    20          0.891              1.171              0.575
 Vibration    21          0.922              1.105              0.512
 Vibration    22          0.929              1.091              0.499
 Vibration    23          0.957              1.034              0.451
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.614271D-95        -95.211640       -219.232902
 Total V=0       0.141161D+21         20.149713         46.396429
 Vib (Bot)       0.123234-109       -109.909270       -253.075447
 Vib (Bot)    1  0.899538D+01          0.954020          2.196712
 Vib (Bot)    2  0.527403D+01          0.722142          1.662794
 Vib (Bot)    3  0.447897D+01          0.651178          1.499392
 Vib (Bot)    4  0.274721D+01          0.438892          1.010586
 Vib (Bot)    5  0.161450D+01          0.208037          0.479023
 Vib (Bot)    6  0.150429D+01          0.177332          0.408322
 Vib (Bot)    7  0.109894D+01          0.040972          0.094342
 Vib (Bot)    8  0.916617D+00         -0.037812         -0.087065
 Vib (Bot)    9  0.878418D+00         -0.056299         -0.129632
 Vib (Bot)   10  0.810202D+00         -0.091407         -0.210472
 Vib (Bot)   11  0.746164D+00         -0.127165         -0.292809
 Vib (Bot)   12  0.691047D+00         -0.160492         -0.369548
 Vib (Bot)   13  0.609046D+00         -0.215350         -0.495861
 Vib (Bot)   14  0.534342D+00         -0.272181         -0.626720
 Vib (Bot)   15  0.459887D+00         -0.337348         -0.776773
 Vib (Bot)   16  0.421847D+00         -0.374845         -0.863112
 Vib (Bot)   17  0.392706D+00         -0.405933         -0.934695
 Vib (Bot)   18  0.374093D+00         -0.427021         -0.983252
 Vib (Bot)   19  0.343606D+00         -0.463939         -1.068259
 Vib (Bot)   20  0.296941D+00         -0.527330         -1.214222
 Vib (Bot)   21  0.272916D+00         -0.563971         -1.298592
 Vib (Bot)   22  0.268171D+00         -0.571588         -1.316131
 Vib (Bot)   23  0.249472D+00         -0.602978         -1.388407
 Vib (V=0)       0.283193D+06          5.452083         12.553884
 Vib (V=0)    1  0.950927D+01          0.978147          2.252267
 Vib (V=0)    2  0.579768D+01          0.763254          1.757457
 Vib (V=0)    3  0.500679D+01          0.699559          1.610795
 Vib (V=0)    4  0.329234D+01          0.517505          1.191599
 Vib (V=0)    5  0.219015D+01          0.340473          0.783969
 Vib (V=0)    6  0.208521D+01          0.319150          0.734870
 Vib (V=0)    7  0.170734D+01          0.232319          0.534934
 Vib (V=0)    8  0.154412D+01          0.188681          0.434454
 Vib (V=0)    9  0.151075D+01          0.179193          0.412607
 Vib (V=0)   10  0.145206D+01          0.161986          0.372986
 Vib (V=0)   11  0.139820D+01          0.145569          0.335185
 Vib (V=0)   12  0.135296D+01          0.131286          0.302297
 Vib (V=0)   13  0.128800D+01          0.109914          0.253087
 Vib (V=0)   14  0.123179D+01          0.090538          0.208471
 Vib (V=0)   15  0.117934D+01          0.071637          0.164951
 Vib (V=0)   16  0.115418D+01          0.062275          0.143393
 Vib (V=0)   17  0.113578D+01          0.055295          0.127321
 Vib (V=0)   18  0.112446D+01          0.050942          0.117299
 Vib (V=0)   19  0.110668D+01          0.044024          0.101368
 Vib (V=0)   20  0.108153D+01          0.034037          0.078374
 Vib (V=0)   21  0.106963D+01          0.029235          0.067317
 Vib (V=0)   22  0.106738D+01          0.028317          0.065203
 Vib (V=0)   23  0.105878D+01          0.024806          0.057118
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.363344D+07          6.560318         15.105690
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3          333333333333 3                              111111111111111111111111111111111                                        
     6          211111111000 0                              866655554444444333332221111110000999998888877776665555444433322222111    
     7          188776320664 1                              3750421099851108420096099887697717753195321875194297638541941764218327432
     9          692815879846 1                              4649650686046355588483696813517039609895714401614292665607060802563565693
 
     X          XXXXXXXXXXXX X                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXX
     X                       X                              XXX X  X         XX  X   XX    X                  X                      
     X                       X                              X X X            XX  X   X                                               
     X                                                      X X              XX  X                                                   
     X                                                      X X              XX                                                      
     X                                                      X                XX                                                      
     X                                                      X                XX                                                      
     X                                                      X                XX                                                      
                                                            X                XX                                                      
                                                            X                XX                                                      
                                                            X                X                                                       
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000003989    0.000000933    0.000000255
      2        6          -0.000000638   -0.000003676   -0.000000822
      3        6           0.000002610    0.000002077    0.000002020
      4        6           0.000002542   -0.000000633    0.000001022
      5        6          -0.000001957    0.000002452    0.000000269
      6        6           0.000002914    0.000001914   -0.000000990
      7        6           0.000002722   -0.000000080    0.000000028
      8        1          -0.000003078   -0.000000525   -0.000000544
      9        1           0.000001014   -0.000002837   -0.000001342
     10        1          -0.000001199   -0.000000977   -0.000002388
     11        6          -0.000005195   -0.000007918    0.000003084
     12        6           0.000002077   -0.000005763   -0.000004593
     13        6          -0.000000020    0.000006701    0.000006038
     14        1           0.000002953   -0.000000183    0.000002162
     15        1           0.000000336   -0.000000440    0.000003193
     16        1           0.000000715    0.000000715    0.000000900
     17        1           0.000000735   -0.000002420    0.000001127
     18        8           0.000001437   -0.000000889   -0.000002398
     19        8          -0.000001258   -0.000003545   -0.000011200
     20        1           0.000000343    0.000003619    0.000001786
     21        6          -0.000002548    0.000006966    0.000000459
     22        6          -0.000004130   -0.000007543    0.000001107
     23        6           0.000004440    0.000004096   -0.000001286
     24        8           0.000001019    0.000002648   -0.000000970
     25        6           0.000002715    0.000001410    0.000000115
     26        1          -0.000001586    0.000000963    0.000001348
     27        1          -0.000002940   -0.000000216    0.000001671
     28        1           0.000000138   -0.000000059   -0.000001050
     29        1           0.000000179    0.000001560    0.000000512
     30        1           0.000000060    0.000000515    0.000000474
     31        1          -0.000000412    0.000001134    0.000000011
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000011200 RMS     0.000002860
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.319707D+03  0.141902D+02 -0.159805D+02
      2   0.141902D+02  0.177896D+03 -0.534954D+01
      3  -0.159805D+02 -0.534954D+01  0.123031D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.110280D+02 -0.294159D+02  0.133076D+02
      2   0.823056D+02  0.172122D+02  0.164772D+02
      3   0.436422D+02  0.542342D+02 -0.213650D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.351748D+03 -0.441695D+02  0.913700D+02
      2   0.166497D+03  0.215881D+02 -0.483309D+02
      3   0.185252D+03  0.225814D+02 -0.430392D+02
      4  -0.594350D+02 -0.119329D+03  0.417591D+02
      5   0.266640D+02  0.459040D+02  0.405436D+02
      6   0.130046D+02 -0.712207D+02 -0.357345D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.434165D+02  0.943260D+01 -0.391930D+01 -0.458063D+02 -0.553198D+01
      2   0.943260D+01  0.505599D+01 -0.177719D+01 -0.553198D+01 -0.577555D+01
      3  -0.391930D+01 -0.177719D+01  0.672519D-01  0.488775D+01  0.993090D+00
                 6             7             8             9            10 
      1   0.488775D+01  0.735178D+00 -0.518650D+00  0.126179D+01 -0.356647D+02
      2   0.993090D+00 -0.518650D+00 -0.159802D+00 -0.100483D+01 -0.789331D+01
      3  -0.362234D+00  0.126179D+01 -0.100483D+01  0.105967D+00  0.311946D+01
                11            12            13            14            15 
      1  -0.789331D+01  0.311946D+01  0.506036D+02  0.688721D+01 -0.564948D+01
      2  -0.105762D+01  0.569406D+00  0.688721D+01  0.763396D+01 -0.170244D+01
      3   0.569406D+00 -0.257348D+00 -0.564948D+01 -0.170244D+01  0.259609D+00
                16            17            18            19            20 
      1  -0.850318D+00  0.322355D+00 -0.473154D+00 -0.500239D+02 -0.103787D+02
      2   0.322355D+00 -0.388289D+00  0.118727D+01 -0.103787D+02 -0.949632D+01
      3  -0.473154D+00  0.118727D+01 -0.260353D+00  0.355450D+01  0.171305D+01
                21            22            23            24            25 
      1   0.355450D+01 -0.198188D+02 -0.217434D+01  0.139042D-01  0.821045D+01
      2   0.171305D+01 -0.217434D+01 -0.543764D+01  0.511982D+00  0.307986D+00
      3  -0.615828D+00  0.139042D-01  0.511982D+00 -0.203535D+01  0.579387D+00
                26            27            28            29            30 
      1   0.307986D+00  0.579387D+00  0.558508D+02  0.506180D+01 -0.481728D+00
      2   0.988356D+00 -0.376656D+01  0.506180D+01  0.450097D+01 -0.701637D+00
      3  -0.376656D+01  0.577443D+00 -0.481728D+00 -0.701637D+00  0.211177D+01
                31            32            33            34            35 
      1   0.780428D+01  0.291516D+01 -0.105410D+00 -0.425416D+01 -0.272332D+00
      2   0.291516D+01  0.153769D+02 -0.282443D+01 -0.272332D+00 -0.285396D+01
      3  -0.105410D+00 -0.282443D+01  0.297420D+00  0.621729D+01  0.112579D+01
                36            37            38            39            40 
      1   0.621729D+01  0.700743D+01 -0.120296D+01 -0.306093D+00  0.837941D+01
      2   0.112579D+01 -0.120296D+01  0.130811D+02 -0.142448D+01  0.818992D+00
      3  -0.140114D+01 -0.306093D+00 -0.142448D+01  0.218653D+01  0.669074D+00
                41            42            43            44            45 
      1   0.818992D+00  0.669074D+00 -0.954602D+00  0.115854D+01  0.451222D+01
      2  -0.837563D+01  0.162497D+01  0.115854D+01 -0.418312D+00  0.223801D+01
      3   0.162497D+01  0.667164D+00  0.451222D+01  0.223801D+01 -0.242299D+01
                46            47            48            49            50 
      1  -0.115838D+02  0.177423D+01  0.156888D+01  0.149140D+01  0.321122D+01
      2   0.177423D+01 -0.928522D+01  0.204929D+01  0.321122D+01  0.345207D+00
      3   0.156888D+01  0.204929D+01 -0.205160D+01 -0.324561D+00  0.332757D+00
                51            52            53            54            55 
      1  -0.324561D+00  0.103340D+01 -0.720814D-01 -0.122610D+01  0.202877D+01
      2   0.332757D+00 -0.720814D-01  0.207055D+01  0.417338D+01 -0.306129D+01
      3   0.154945D+01 -0.122610D+01  0.417338D+01 -0.101955D+01 -0.370242D-01
                56            57            58            59            60 
      1  -0.306129D+01 -0.370242D-01 -0.337107D+01 -0.453002D+01  0.427391D+00
      2   0.532832D+01 -0.238901D+00 -0.453002D+01 -0.227398D+01  0.128407D+00
      3  -0.238901D+00  0.216032D+01  0.427391D+00  0.128407D+00 -0.148086D+01
                61            62            63            64            65 
      1   0.544393D-01  0.406616D+00  0.178947D+00  0.104471D+01 -0.213513D+01
      2   0.406616D+00 -0.134621D+01 -0.411287D+01 -0.213513D+01  0.907779D+00
      3   0.178947D+00 -0.411287D+01  0.501191D+00 -0.164651D+00  0.252346D+00
                66            67            68            69            70 
      1  -0.164651D+00 -0.307036D+01  0.294788D+01  0.113426D+00 -0.471006D+00
      2   0.252346D+00  0.294788D+01 -0.656848D+01 -0.745885D-01  0.191912D+00
      3   0.832742D-01  0.113426D+00 -0.745885D-01 -0.762337D+00 -0.929847D-01
                71            72            73            74            75 
      1   0.191912D+00 -0.929847D-01  0.629014D+01  0.337300D+01 -0.110694D+01
      2   0.403679D+00 -0.985315D-01  0.337300D+01  0.345608D+01 -0.799057D+00
      3  -0.985315D-01 -0.467432D-02 -0.110694D+01 -0.799057D+00  0.773791D+00
                76            77            78            79            80 
      1   0.408789D+01  0.439945D+01 -0.982119D+00 -0.143107D+01 -0.928338D+00
      2   0.439945D+01  0.533591D+01 -0.110102D+01 -0.928338D+00 -0.898171D+00
      3  -0.982119D+00 -0.110102D+01  0.101192D+01 -0.125620D+00  0.580168D+00
                81            82            83            84            85 
      1  -0.125620D+00 -0.100959D+01  0.157077D+01 -0.850291D-01  0.735281D+00
      2   0.580168D+00  0.157077D+01 -0.241873D+01  0.128974D+00 -0.138435D+01
      3  -0.222556D+00 -0.850291D-01  0.128974D+00 -0.206085D+00  0.234849D+00
                86            87            88            89            90 
      1  -0.138435D+01  0.234849D+00 -0.524491D-01 -0.705688D-01  0.125408D+00
      2   0.109341D+02 -0.110453D+01 -0.705688D-01 -0.954242D+00  0.276031D+00
      3  -0.110453D+01  0.111888D+01  0.125408D+00  0.276031D+00 -0.162165D+00
                91            92            93            94            95 
      1  -0.264738D+02 -0.308660D+01 -0.201959D+01 -0.919291D+00 -0.196482D+01
      2  -0.308660D+01 -0.965915D+00 -0.273676D+00 -0.196482D+01  0.816558D+00
      3  -0.201959D+01 -0.273676D+00 -0.300592D+01  0.670344D+00  0.303507D+01
                96            97            98            99           100 
      1   0.670344D+00 -0.929741D+01 -0.640515D+00 -0.605304D+01 -0.700731D+01
      2   0.303507D+01 -0.640515D+00  0.202611D+01 -0.183412D+01  0.152537D+01
      3  -0.564599D+00 -0.605304D+01 -0.183412D+01 -0.482747D+00  0.184902D+01
               101           102           103           104           105 
      1   0.152537D+01  0.184902D+01 -0.167728D+01  0.199854D+01  0.513669D+00
      2   0.167109D+01  0.760056D+00  0.199854D+01 -0.110908D+01 -0.316623D+01
      3   0.760056D+00  0.349626D+01  0.513669D+00 -0.316623D+01  0.115897D+01
               106           107           108           109           110 
      1   0.243399D+01  0.738054D+00  0.227565D+01 -0.360100D+01 -0.131176D+01
      2   0.738054D+00 -0.233478D+01  0.254468D+01 -0.131176D+01 -0.290097D+00
      3   0.227565D+01  0.254468D+01  0.336861D+01 -0.448759D+00 -0.473164D+00
               111           112           113           114           115 
      1  -0.448759D+00 -0.153066D+01  0.882006D+00 -0.554420D-02  0.163138D+02
      2  -0.473164D+00  0.882006D+00 -0.804516D-01 -0.255129D+00  0.668407D+00
      3   0.839520D+00 -0.554420D-02 -0.255129D+00  0.369819D+00  0.655591D+01
               116           117           118           119           120 
      1   0.668407D+00  0.655591D+01  0.399742D+01  0.178000D+01 -0.156964D+01
      2   0.544842D+00  0.470038D+00  0.178000D+01  0.103955D+01 -0.517852D+00
      3   0.470038D+00  0.150195D+00 -0.156964D+01 -0.517852D+00  0.172037D+01
               121           122           123           124           125 
      1   0.626215D+01  0.171861D+01 -0.122726D+01 -0.234563D+01 -0.520951D+00
      2   0.171861D+01  0.255621D+01 -0.195535D+01 -0.520951D+00 -0.201250D+01
      3  -0.122726D+01 -0.195535D+01  0.186931D+01  0.258280D+01  0.160479D+01
               126           127           128           129           130 
      1   0.258280D+01 -0.881493D+00 -0.158203D+00 -0.108479D+01  0.543427D+00
      2   0.160479D+01 -0.158203D+00 -0.110631D+01 -0.103344D+01 -0.242266D+00
      3  -0.346431D+01 -0.108479D+01 -0.103344D+01 -0.269063D+01 -0.948539D-01
               131           132           133           134           135 
      1  -0.242266D+00 -0.948539D-01 -0.174069D+01  0.350266D+00 -0.276085D+00
      2  -0.112984D+01 -0.940718D+00  0.350266D+00 -0.197512D+01 -0.256206D+01
      3  -0.940718D+00 -0.131473D+01 -0.276085D+00 -0.256206D+01 -0.737217D+01
               136           137           138           139           140 
      1  -0.222698D+00 -0.299333D+00  0.383534D+00 -0.140005D+01  0.477561D+00
      2  -0.299333D+00 -0.101926D+01  0.152700D-01  0.477561D+00 -0.441685D+01
      3   0.383534D+00  0.152700D-01 -0.781067D+00  0.856700D-01  0.144731D+01
               141           142           143           144           145 
      1   0.856700D-01  0.144695D+01 -0.778699D+00 -0.259119D+00  0.124243D+02
      2   0.144731D+01 -0.778699D+00  0.302809D+01 -0.145398D+01 -0.324258D+01
      3  -0.168537D+01 -0.259119D+00 -0.145398D+01  0.169056D+01 -0.232619D+01
               146           147           148           149           150 
      1  -0.324258D+01 -0.232619D+01 -0.174491D+01  0.126566D+01  0.124056D+00
      2   0.200380D+01  0.822629D+00  0.126566D+01 -0.551747D+00 -0.473009D-02
      3   0.822629D+00  0.166687D+01  0.124056D+00 -0.473009D-02 -0.131978D+00
               151           152           153           154           155 
      1  -0.138990D+01  0.216418D+00  0.121110D+01  0.192006D+02  0.273264D+01
      2   0.216418D+00  0.409853D-01 -0.547328D+00  0.273264D+01  0.210191D+01
      3   0.121110D+01 -0.547328D+00 -0.978228D+00  0.153594D+01  0.718457D+00
               156           157           158           159           160 
      1   0.153594D+01  0.348459D+01  0.435651D+01  0.219119D+00  0.215257D+01
      2   0.718457D+00  0.435651D+01  0.200504D+01  0.520900D+00  0.567421D+00
      3   0.324421D+01  0.219119D+00  0.520900D+00  0.404097D+00  0.268601D+01
               161           162           163           164           165 
      1   0.567421D+00  0.268601D+01  0.159968D+02  0.556540D+00  0.537725D+01
      2  -0.270172D+00  0.624962D+00  0.556540D+00 -0.531690D+00 -0.288010D+00
      3   0.624962D+00  0.455898D+00  0.537725D+01 -0.288010D+00  0.112027D+01
               166           167           168           169           170 
      1   0.279223D+01 -0.429891D+00  0.477517D+00 -0.252279D+00 -0.651666D+00
      2  -0.429891D+00 -0.323645D+00  0.134899D+01 -0.651666D+00  0.643987D+00
      3   0.477517D+00  0.134899D+01 -0.687788D-01 -0.598415D-02  0.100651D+00
               171           172           173           174           175 
      1  -0.598415D-02 -0.125714D+02  0.959004D-01 -0.310918D+01 -0.144754D+01
      2   0.100651D+00  0.959004D-01 -0.855782D-01  0.204692D+00  0.449773D+00
      3   0.694050D+01 -0.310918D+01  0.204692D+00 -0.337367D+01 -0.439584D+00
               176           177           178           179           180 
      1   0.449773D+00 -0.439584D+00 -0.789063D+01  0.125528D+00 -0.288087D+01
      2  -0.160351D+00  0.747297D+00  0.125528D+00  0.126095D+01 -0.116872D+00
      3   0.747297D+00 -0.614901D+00 -0.288087D+01 -0.116872D+00  0.973140D-01
               181           182           183           184           185 
      1  -0.525001D+01  0.587587D+00 -0.203983D+00 -0.144964D+02 -0.213707D+01
      2   0.587587D+00 -0.101249D+02 -0.111045D-01 -0.213707D+01  0.426820D+01
      3  -0.203983D+00 -0.111045D-01 -0.226614D+01  0.116492D+01 -0.367750D+00
               186           187           188           189           190 
      1   0.116492D+01  0.107423D+01 -0.637851D+00 -0.415357D+01 -0.365913D+02
      2  -0.367750D+00 -0.637851D+00  0.125004D+00 -0.285405D+01 -0.547289D+01
      3  -0.140567D+01 -0.415357D+01 -0.285405D+01  0.186114D+01  0.283901D+01
               191           192           193           194           195 
      1  -0.547289D+01  0.283901D+01 -0.226684D+01 -0.332072D+01 -0.514679D+00
      2  -0.913159D+01  0.996554D+00 -0.332072D+01 -0.111572D+02  0.910755D+00
      3   0.996554D+00 -0.377314D+01 -0.514679D+00  0.910755D+00  0.517037D+00
               196           197           198           199           200 
      1   0.289424D+01  0.195393D+00 -0.724536D+01  0.387876D+02  0.999523D+01
      2   0.195393D+00  0.219250D+01 -0.611013D+00  0.999523D+01  0.734990D+01
      3  -0.724536D+01 -0.611013D+00  0.183423D+01 -0.415517D+01 -0.718279D+00
               201           202           203           204           205 
      1  -0.415517D+01  0.169847D+02  0.403288D+01 -0.186711D+01 -0.654967D+01
      2  -0.718279D+00  0.403288D+01  0.538120D+01 -0.125764D+00 -0.108716D+01
      3   0.640580D+00 -0.186711D+01 -0.125764D+00  0.237285D+01  0.263092D+00
               206           207           208           209           210 
      1  -0.108716D+01  0.263092D+00  0.623481D+01  0.357799D+01 -0.125754D+01
      2  -0.496674D+00  0.467702D+01  0.357799D+01  0.365186D+01 -0.738451D+00
      3   0.467702D+01 -0.128266D+01 -0.125754D+01 -0.738451D+00  0.138458D+00
               211           212           213           214           215 
      1  -0.331842D+01 -0.413823D+01  0.617191D+00 -0.460926D+00  0.473998D-01
      2  -0.413823D+01  0.869562D+00  0.307421D+00  0.473998D-01 -0.385411D+00
      3   0.617191D+00  0.307421D+00 -0.126735D+01 -0.279040D+00  0.703745D+00
               216           217           218           219           220 
      1  -0.279040D+00 -0.316541D+00 -0.417664D+01  0.870745D+00 -0.151446D+01
      2   0.703745D+00 -0.417664D+01 -0.842978D+00  0.121203D+01  0.353019D+01
      3   0.720366D-01  0.870745D+00  0.121203D+01  0.151181D+00  0.100322D+01
               221           222           223           224           225 
      1   0.353019D+01  0.100322D+01  0.907194D+00  0.101967D+01  0.257678D+01
      2   0.177179D+01  0.675992D+00  0.101967D+01  0.930816D+00  0.450342D+01
      3   0.675992D+00  0.616158D+01  0.257678D+01  0.450342D+01 -0.225986D+01
               226           227           228           229           230 
      1   0.559516D+00 -0.149303D+01  0.860830D-01 -0.504617D+00  0.811394D+00
      2  -0.149303D+01  0.214627D+01 -0.158821D-01  0.811394D+00 -0.982982D+01
      3   0.860830D-01 -0.158821D-01  0.159354D+00 -0.124272D+00  0.698386D+00
               231           232           233           234           235 
      1  -0.124272D+00 -0.548973D-02  0.564755D-01 -0.723109D-01 -0.674821D+01
      2   0.698386D+00  0.564755D-01  0.766911D+00 -0.178535D+00 -0.314458D+01
      3  -0.993780D+00 -0.723109D-01 -0.178535D+00  0.113863D+00  0.107548D+01
               236           237           238           239           240 
      1  -0.314458D+01  0.107548D+01 -0.488291D+01 -0.432607D+01  0.932777D+00
      2  -0.272396D+01  0.568359D+00 -0.432607D+01 -0.482942D+01  0.882577D+00
      3   0.568359D+00 -0.506878D+00  0.932777D+00  0.882577D+00 -0.844742D+00
               241           242           243           244           245 
      1   0.145192D+01  0.871793D+00  0.238699D+00 -0.108347D+01  0.254352D+01
      2   0.871793D+00  0.826978D+00 -0.235494D+00  0.254352D+01 -0.218152D+01
      3   0.238699D+00 -0.235494D+00  0.599720D-01 -0.231173D+00 -0.566353D-01
               246           247           248           249           250 
      1  -0.231173D+00  0.329052D+01 -0.367330D+01  0.174984D+00 -0.315671D+00
      2  -0.566353D-01 -0.367330D+01  0.855965D+01 -0.462564D+00  0.795194D-01
      3  -0.332681D+00  0.174984D+00 -0.462564D+00  0.103572D+01 -0.205633D+00
               251           252           253           254           255 
      1   0.795194D-01 -0.205633D+00  0.988313D+00  0.207659D+00  0.621947D+00
      2  -0.642493D+00  0.137427D+00  0.207659D+00  0.455250D+00 -0.110717D+00
      3   0.137427D+00 -0.579980D-01  0.621947D+00 -0.110717D+00  0.554715D+00
               256           257           258           259           260 
      1  -0.175874D+01 -0.170648D+01  0.132263D+01  0.430146D+01  0.134268D+01
      2  -0.170648D+01 -0.210417D+01  0.190776D+01  0.134268D+01  0.190687D+01
      3   0.132263D+01  0.190776D+01 -0.310915D+01 -0.357979D+01 -0.289702D+01
               261           262           263           264           265 
      1  -0.357979D+01 -0.696319D+00 -0.502196D+00 -0.135250D+01 -0.355193D+01
      2  -0.289702D+01 -0.502196D+00 -0.187316D+00 -0.525609D+00 -0.292143D+01
      3   0.654699D+01 -0.135250D+01 -0.525609D+00 -0.586013D-01 -0.169863D+01
               266           267           268           269           270 
      1  -0.292143D+01 -0.169863D+01 -0.537073D+01 -0.221177D+01 -0.274318D+01
      2  -0.345286D+01 -0.208895D+01 -0.221177D+01 -0.256890D+01 -0.260200D+01
      3  -0.208895D+01 -0.263405D+01 -0.274318D+01 -0.260200D+01 -0.344610D+01
               271           272           273           274           275 
      1  -0.141022D+02  0.274431D+01  0.977420D+00  0.662102D+01 -0.222205D+01
      2   0.274431D+01 -0.130086D+01 -0.307026D+00 -0.222205D+01  0.172247D+01
      3   0.977420D+00 -0.307026D+00 -0.119515D+01 -0.618985D+00  0.100545D+00
               276           277           278           279 
      1  -0.618985D+00  0.622800D+00 -0.275850D+00 -0.159322D+01
      2   0.100545D+00 -0.275850D+00 -0.515993D-01 -0.721317D-01
      3   0.482063D+00 -0.159322D+01 -0.721317D-01  0.461593D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.246646D+01  0.414533D+01 -0.297311D+00  0.554407D+01  0.574257D+01
      2   0.162267D+02  0.633573D+01 -0.100447D+01 -0.146266D+02  0.516973D+00
      3  -0.318040D+01  0.403012D+02 -0.343465D+01  0.344941D+02  0.254347D+02
                 6             7             8             9            10 
      1  -0.122394D+01  0.363604D+01  0.664793D+01 -0.782707D+00  0.231584D+01
      2   0.785801D+00 -0.196755D+02 -0.287144D+01  0.247523D+01 -0.195809D+02
      3  -0.488795D+01 -0.314371D+01 -0.847296D+01 -0.756519D-01  0.181315D+01
                11            12            13            14            15 
      1   0.676581D+01 -0.948386D+00  0.729119D+01  0.870837D+00  0.164593D+00
      2   0.395632D+00 -0.365459D+01  0.212604D+02  0.363554D+01 -0.233836D+01
      3   0.471667D+02 -0.431072D+01  0.671392D+02  0.223142D+02 -0.880579D+01
                16            17            18            19            20 
      1   0.285353D+01  0.610349D+01 -0.137306D+01  0.317016D+01 -0.318189D+00
      2  -0.231521D+02 -0.196439D+01  0.284491D+01 -0.246473D+02 -0.802807D+01
      3  -0.574728D+01 -0.889453D+01  0.249180D+01  0.117094D+02 -0.306063D+02
                21            22            23            24            25 
      1  -0.466368D+00 -0.820469D+00  0.390282D+01 -0.251312D+01  0.604740D+01
      2   0.510393D+00 -0.138615D+02 -0.161528D+01 -0.141189D+01 -0.166245D+02
      3   0.119380D+01  0.184943D+01  0.327657D+01 -0.254443D+00  0.414642D+01
                26            27            28            29            30 
      1   0.151299D+01  0.258060D+01  0.387509D+01  0.870496D+00 -0.229157D+00
      2  -0.660792D+01  0.210155D+01  0.342657D+02  0.378263D+01  0.665721D+00
      3   0.462685D+01  0.240527D+01  0.134945D+02  0.926247D+01 -0.695853D+00
                31            32            33            34            35 
      1   0.628191D+01 -0.617888D+01  0.312312D+01 -0.210864D+01  0.156128D+02
      2   0.418358D+01  0.462653D-01  0.271347D+00 -0.163046D+02 -0.143403D+01
      3   0.320395D+02  0.211355D+00  0.326297D+01 -0.374259D+01 -0.112072D+01
                36            37            38            39            40 
      1  -0.261048D+01  0.223520D+01 -0.551442D+01 -0.473896D+01 -0.327011D+01
      2   0.122482D+01  0.176682D+01  0.453889D+00  0.274574D+01  0.526173D+01
      3  -0.817615D-01  0.303723D+02  0.185767D+00 -0.528400D+00 -0.415122D+01
                41            42            43            44            45 
      1   0.579312D+01 -0.120982D+01 -0.164939D+02  0.762301D+01  0.104418D+01
      2   0.242106D+01  0.799734D+00 -0.844340D+01  0.757595D+01  0.628694D+00
      3   0.593837D+01 -0.236421D+01 -0.787569D+00 -0.233981D+01  0.686421D+01
                46            47            48            49            50 
      1  -0.556374D+01  0.435598D+00  0.493291D+01 -0.260213D+01 -0.425291D+01
      2  -0.713591D+01 -0.902793D+00  0.986328D+00 -0.117386D+01 -0.957875D+00
      3  -0.526545D+02 -0.309946D+02  0.624263D+01 -0.109400D+02 -0.244371D+02
                51            52            53            54            55 
      1  -0.296944D+01  0.834206D+01 -0.477266D+01 -0.259143D+01 -0.145521D+01
      2   0.986800D+00 -0.169713D+02  0.159712D+01  0.330121D+00 -0.745115D+01
      3   0.349631D+01  0.864941D+01  0.598513D+01 -0.689224D+01 -0.305134D+02
                56            57            58            59            60 
      1  -0.565288D+01  0.552718D+01  0.119317D+01 -0.327858D+01 -0.239469D+01
      2  -0.398252D+01 -0.538924D+01 -0.430485D+01 -0.349040D+01  0.355598D+01
      3  -0.342157D+02  0.491452D+01 -0.291864D+01 -0.275390D+02  0.165226D+01
                61            62            63            64            65 
      1   0.531139D+01 -0.214030D+01 -0.696467D+00  0.414101D+00  0.728840D+00
      2  -0.222978D+02  0.563502D+01  0.101877D+01 -0.641334D+00 -0.368045D+00
      3   0.453119D+01  0.581696D+01 -0.110837D+02 -0.112435D+01  0.143901D+01
                66            67            68            69            70 
      1   0.581921D+00 -0.395867D+00  0.171705D+01 -0.364104D+01  0.274544D+00
      2  -0.227098D+00 -0.782604D+00  0.811796D+00 -0.123094D+01 -0.252500D+01
      3   0.136863D+00  0.619647D+01  0.420917D+01 -0.605624D+00  0.686816D-01
                71            72            73            74            75 
      1   0.218665D+01 -0.155291D+00 -0.163386D+00 -0.133225D+01 -0.254645D+01
      2   0.117925D+01  0.281603D-01  0.369357D+01  0.119853D+01  0.181063D+01
      3  -0.452180D+00 -0.763167D+00  0.963157D+01 -0.309335D+00 -0.769015D+00
                76            77            78            79            80 
      1  -0.146904D+01 -0.207543D+01 -0.287899D+01  0.304349D+01  0.140700D+01
      2   0.184693D+01  0.145913D+01  0.236449D+01 -0.345088D+01  0.323300D-01
      3   0.202996D+01 -0.144328D+01 -0.140161D+00 -0.180189D+01  0.219082D+00
                81            82            83            84            85 
      1  -0.165793D+00 -0.120340D+01  0.150458D+01  0.133916D+01  0.364865D+00
      2  -0.630723D+00 -0.873836D+00  0.832210D+00  0.631086D+00  0.736032D+00
      3  -0.115045D+01 -0.544551D+01  0.230251D+01  0.100340D+00  0.562881D+01
                86            87            88            89            90 
      1  -0.418108D+01 -0.486459D+01 -0.123853D+01  0.272250D+01  0.353983D+00
      2  -0.130854D+01 -0.847729D+00 -0.575997D+00 -0.872507D+00  0.243167D+00
      3  -0.382413D+01  0.714471D+00  0.568743D+00  0.481295D+00  0.943090D+00
                91            92            93            94            95 
      1  -0.129618D+01  0.109649D+01 -0.216120D+00 -0.248557D+01  0.261923D+00
      2  -0.245555D+02 -0.201326D+01 -0.920318D+01  0.170952D+01  0.793238D+01
      3  -0.360705D+00 -0.284222D+01 -0.124111D+01  0.163013D+02 -0.520674D+01
                96            97            98            99           100 
      1  -0.284050D+01 -0.228249D+01  0.345910D+01  0.368283D+01  0.666859D+00
      2  -0.797144D+00 -0.409164D+02 -0.601553D+01 -0.489808D+01 -0.237182D+01
      3  -0.119376D+02 -0.189725D+01 -0.121726D+02  0.612544D+01  0.111264D+02
               101           102           103           104           105 
      1  -0.319010D+01  0.411716D+01 -0.105324D+01 -0.435433D+01  0.588921D+01
      2   0.441358D+01  0.169224D+02  0.108314D+01 -0.852751D+01  0.469896D+01
      3  -0.167537D+02 -0.647942D+01 -0.103650D+02 -0.506930D+00  0.138141D+02
               106           107           108           109           110 
      1   0.312541D+00  0.102995D+02  0.169170D+01 -0.576285D+01 -0.172719D+01
      2   0.857771D+01  0.966632D+01  0.145768D+02  0.225006D+02  0.257592D+01
      3  -0.485996D+01  0.937913D+01 -0.153403D+02  0.167457D+01  0.158152D+02
               111           112           113           114           115 
      1   0.458198D+01 -0.123437D+02 -0.368021D+01 -0.175785D+02  0.399397D+01
      2  -0.190773D+00 -0.558995D+00  0.760731D-01 -0.377318D+01  0.258401D+02
      3   0.338945D+00  0.129515D+02  0.864295D+01  0.333904D+01  0.329100D+00
               116           117           118           119           120 
      1  -0.507613D+01  0.163747D+01 -0.578237D+00 -0.133608D+01  0.395742D+00
      2  -0.684538D+00 -0.578002D+00 -0.329322D+01 -0.772370D+00  0.635936D+01
      3   0.468351D+01 -0.990943D+00 -0.737714D+01 -0.619618D+01  0.212718D+01
               121           122           123           124           125 
      1   0.925527D-01 -0.232701D+01  0.305156D+00  0.217179D+00  0.291527D+01
      2   0.871683D+00 -0.516962D+01  0.587383D+01  0.577977D+01  0.464881D+01
      3  -0.136965D+01 -0.896023D+01  0.693423D+01  0.176445D+01  0.873488D+01
               126           127           128           129           130 
      1  -0.882697D+00 -0.915130D+00  0.154044D+01 -0.299835D+01  0.284466D+00
      2  -0.916268D+01 -0.734650D+01 -0.317758D+01 -0.981483D+01 -0.577154D-03
      3  -0.613638D+01  0.372109D+01  0.512591D+01  0.625277D+01  0.320244D+01
               131           132           133           134           135 
      1   0.101187D+00 -0.246422D+01 -0.167902D+01  0.146265D+01 -0.774143D+01
      2  -0.365109D+01 -0.485450D+01 -0.627521D+01 -0.833802D+01 -0.255308D+02
      3   0.427903D+01  0.425264D+01  0.304901D+01  0.679345D+01  0.127084D+02
               136           137           138           139           140 
      1   0.169152D+01  0.148083D+01 -0.227510D+01  0.396473D+00  0.798805D+01
      2   0.186024D+01 -0.554138D+00 -0.210456D+01 -0.642278D+00  0.532004D+01
      3   0.514502D+01  0.499560D+01 -0.161653D+01  0.355035D+01  0.177803D+02
               141           142           143           144           145 
      1  -0.729502D+01 -0.399977D+00 -0.501043D+01  0.670881D+01  0.250437D+00
      2  -0.549379D+01 -0.169096D+01 -0.518704D+01  0.548724D+01  0.673072D+01
      3  -0.683078D+01 -0.207739D+01 -0.119454D+02  0.789652D+01 -0.652489D+01
               146           147           148           149           150 
      1  -0.190555D+01  0.202374D+01 -0.109341D+01  0.710097D+00 -0.137024D+01
      2  -0.169958D+00  0.635019D+01 -0.127569D+01  0.184467D+01 -0.296280D+00
      3  -0.663936D+01 -0.328183D+00 -0.979726D+00  0.897347D+00 -0.148728D+01
               151           152           153           154           155 
      1   0.106452D+01 -0.393676D+00 -0.405206D+00  0.420030D+01  0.176048D+01
      2   0.225007D+01 -0.144988D+01 -0.251764D+01 -0.102808D+02  0.151218D+00
      3   0.128165D+01 -0.121409D+01  0.606387D+00 -0.711120D+01 -0.257752D+02
               156           157           158           159           160 
      1  -0.422827D+01  0.935918D+01  0.258881D+01  0.108940D+01 -0.183204D+01
      2   0.252029D+02  0.241305D+01 -0.120869D+01  0.450797D+01  0.693326D+01
      3  -0.143930D+01 -0.167767D+02 -0.112969D+02 -0.205096D+01 -0.540901D+00
               161           162           163           164           165 
      1   0.310719D+01 -0.177487D+00  0.623351D+01  0.167868D+01  0.101552D+01
      2   0.294487D+01  0.249642D+01 -0.985071D+01 -0.299079D+01  0.161525D+01
      3  -0.263561D+01 -0.184012D+01 -0.367855D+01 -0.335834D+01  0.524330D+00
               166           167           168           169           170 
      1   0.423332D+01 -0.438698D+00  0.486755D+01  0.164561D+01  0.831487D+01
      2  -0.305246D+01  0.665123D+01  0.440904D+00 -0.125814D+02  0.532254D+00
      3   0.231876D+01  0.647074D+00 -0.610653D+01  0.151520D+01 -0.285347D+01
               171           172           173           174           175 
      1  -0.134907D+01 -0.599482D+01 -0.173110D+01 -0.208233D+01 -0.557660D+01
      2   0.229510D+02  0.221477D+02  0.153910D+01 -0.637654D+01  0.358326D+01
      3   0.603194D+00  0.263817D+01  0.186330D+01  0.638473D-01  0.495071D+01
               176           177           178           179           180 
      1   0.178771D+00 -0.277296D+01 -0.199391D+01 -0.106302D+01 -0.672475D+00
      2   0.215959D+01 -0.960084D+00 -0.738232D+00  0.563704D+00  0.152085D+01
      3  -0.126392D+00 -0.108723D+01  0.402368D+00  0.106645D+01  0.134321D+00
               181           182           183           184           185 
      1  -0.279124D+00  0.408713D+01 -0.601869D+01 -0.312771D+01  0.429294D+00
      2   0.784682D+00  0.220451D+01  0.796498D+01 -0.632421D+01  0.263562D+01
      3   0.176672D+02  0.637792D+01 -0.261620D+01 -0.179788D+02  0.879887D+01
               186           187           188           189           190 
      1  -0.939964D+00 -0.119278D+02  0.561214D+01  0.229867D+01  0.261168D+01
      2   0.365215D+01 -0.393393D+01  0.115299D+02 -0.351529D+01 -0.111912D+02
      3   0.364302D+00  0.167657D+01 -0.373039D+01 -0.526108D-01  0.105579D+02
               191           192           193           194           195 
      1   0.749006D+01  0.718249D+00  0.716992D+01  0.617844D+01  0.215907D+01
      2  -0.429308D+00  0.104262D+01  0.310567D+01 -0.233016D+01 -0.657012D+00
      3   0.223071D+02 -0.366710D+01  0.490412D+02  0.824083D+01 -0.604474D+01
               196           197           198           199           200 
      1  -0.219955D+01  0.126039D+02 -0.168685D+01 -0.141137D+00 -0.652173D+01
      2   0.219643D+01 -0.465104D+01 -0.201441D+01  0.152624D+02 -0.997172D+00
      3  -0.663956D+01 -0.487705D+01  0.361149D+00  0.123774D+02 -0.377676D+02
               201           202           203           204           205 
      1   0.262045D+00 -0.108727D+01 -0.362268D+01 -0.255368D+01  0.759700D+01
      2   0.220059D+01  0.303245D+01 -0.195757D+01 -0.441475D+01 -0.206356D+02
      3   0.335693D+01 -0.304095D+01 -0.140404D+02  0.345470D+01  0.743795D+00
               206           207           208           209           210 
      1   0.291441D+01 -0.119388D+01 -0.280758D+01 -0.719169D+01 -0.132857D+01
      2  -0.164965D+02  0.466306D+01  0.147449D+01 -0.194674D+01  0.148684D+02
      3   0.842160D+01  0.719741D+01 -0.961485D+01 -0.447922D+02  0.449256D+01
               211           212           213           214           215 
      1  -0.320589D+00  0.315345D+00 -0.523565D+01 -0.197950D+01 -0.118393D+01
      2  -0.147020D+01  0.333164D+00  0.623655D+01 -0.531100D+01 -0.111409D+01
      3  -0.603585D+01  0.109702D+02 -0.544393D+00  0.304559D+01  0.488928D+01
               216           217           218           219           220 
      1   0.126180D+01 -0.639148D+00  0.290315D+01  0.132571D+01  0.492905D+01
      2  -0.153972D+01 -0.621615D+01 -0.402323D+01 -0.190623D+01 -0.394994D+01
      3   0.201836D+01 -0.299988D+02  0.134264D+02  0.607492D+01  0.328428D+02
               221           222           223           224           225 
      1   0.393696D+01  0.512618D+01  0.130927D+02  0.694118D+01 -0.516023D+00
      2  -0.375612D+01 -0.398018D+02 -0.202974D+02 -0.300444D+02  0.142586D+02
      3   0.255642D+02  0.926550D+00  0.477855D+01  0.146872D+01  0.302170D+02
               226           227           228           229           230 
      1  -0.328610D+00  0.429397D+00  0.127783D+01 -0.195284D+00  0.344851D+00
      2  -0.600159D+00  0.688772D-01  0.285849D+00  0.552534D+00 -0.192792D+01
      3  -0.740171D+01  0.510393D+01  0.241086D+00  0.564162D+01 -0.198589D+02
               231           232           233           234           235 
      1  -0.475760D+01 -0.342454D+00  0.276719D+01  0.234013D+00  0.167145D+01
      2   0.799814D+00 -0.161964D+00 -0.193544D+00 -0.622861D-01 -0.181135D+01
      3   0.167888D+01  0.391666D+00  0.116279D+01  0.329751D+00  0.527170D+01
               236           237           238           239           240 
      1   0.113593D+00 -0.208678D+01  0.649434D+00 -0.159540D+00 -0.292730D+01
      2  -0.140053D+01  0.215537D+01 -0.203864D+01 -0.226867D+01  0.387518D+01
      3  -0.531660D+01 -0.143594D+00 -0.484595D+01 -0.118764D+02  0.154975D+01
               241           242           243           244           245 
      1   0.236815D+01  0.116793D+01  0.422162D-01 -0.205253D+00  0.555989D+00
      2  -0.285455D+01  0.329553D+00 -0.284258D+00  0.395735D-01  0.610141D+00
      3  -0.293106D+00  0.161094D+01 -0.128269D+01  0.388867D+01 -0.408129D+01
               246           247           248           249           250 
      1   0.126859D+01  0.428749D+00 -0.514458D+00 -0.418103D+01 -0.217585D+00
      2   0.144762D+01  0.298380D+00  0.577107D+00 -0.356552D+01 -0.213097D+01
      3  -0.271350D+00 -0.182216D+01  0.201353D+02 -0.129317D+01 -0.520968D-01
               251           252           253           254           255 
      1   0.183483D+01  0.624736D-01 -0.109501D+01  0.290383D+00  0.114256D+01
      2   0.208283D+00  0.259954D+00 -0.558321D+01  0.929387D+00 -0.285084D+01
      3  -0.188994D+01 -0.624994D-01 -0.930027D+00  0.111574D+01 -0.115024D+01
               256           257           258           259           260 
      1  -0.481117D-01 -0.115183D+01 -0.222410D+01 -0.238310D+01  0.224173D+01
      2  -0.538416D+01 -0.105668D+02  0.181525D+02  0.149545D+02  0.175057D+02
      3  -0.911756D+01 -0.172312D+02  0.121571D+02  0.654891D+01  0.146307D+02
               261           262           263           264           265 
      1   0.377900D+01 -0.147112D+00 -0.357083D+00 -0.109206D+00 -0.302561D+01
      2  -0.369544D+02  0.873223D+01  0.302640D+01  0.135415D+01  0.854303D+01
      3  -0.188565D+02 -0.476938D+01 -0.317201D+01 -0.243670D+01 -0.151238D+02
               266           267           268           269           270 
      1  -0.295869D+01 -0.452724D+01 -0.435109D+01 -0.112768D+01 -0.519293D+01
      2   0.119994D+02  0.167006D+02  0.136692D+02  0.162442D+02  0.208189D+02
      3  -0.255795D+02 -0.119378D+02 -0.100093D+02 -0.175021D+02 -0.158655D+02
               271           272           273           274           275 
      1   0.170625D+01 -0.109902D+01  0.597556D-01 -0.131283D+01  0.788948D+00
      2  -0.452510D-01  0.563992D+00  0.911889D+01  0.965080D+00  0.316224D+00
      3   0.224992D+02 -0.129151D+02 -0.225574D+01 -0.148553D+02  0.116846D+02
               276           277           278           279 
      1  -0.876769D+00 -0.127342D+01  0.256613D+00  0.138907D+00
      2  -0.325964D+01  0.749088D+01  0.633672D+00 -0.225012D+01
      3   0.791584D+00 -0.189867D+01  0.130090D+00 -0.427859D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.947094D+02 -0.453973D+02  0.114647D+02  0.911789D+02 -0.616383D+01
      2   0.519586D+02  0.260355D+02 -0.768711D+01 -0.456077D+02  0.905559D+01
      3   0.427508D+02  0.193619D+02 -0.377762D+01 -0.455712D+02 -0.289176D+01
      4  -0.421853D+02  0.648137D+00  0.262177D+01 -0.403425D+01  0.751058D+01
      5   0.153644D+02  0.229837D+01 -0.202169D+01  0.108041D+01  0.171634D+01
      6   0.113993D+01 -0.390386D+01  0.603010D+00  0.317108D+01  0.205069D+01
                 6             7             8             9            10 
      1  -0.913957D+01  0.318747D+01  0.467051D+01 -0.105231D+02  0.877439D+02
      2   0.356179D+01 -0.318555D+01 -0.386838D+01 -0.438745D+00 -0.365308D+02
      3   0.557778D+01 -0.192017D-02 -0.802127D+00  0.109618D+02 -0.512131D+02
      4  -0.193435D+00  0.479114D+01  0.991910D-01 -0.463599D+00  0.115997D+02
      5  -0.955507D+00 -0.989108D+00  0.135340D+01  0.297489D+01 -0.133887D+02
      6  -0.614115D+00 -0.308982D+01  0.369277D+01  0.201902D+01  0.186658D+00
                11            12            13            14            15 
      1  -0.455312D+01 -0.962516D+01 -0.106426D+03 -0.270979D+02  0.114918D+02
      2   0.303171D+01  0.250842D+01  0.491895D+02  0.233462D+02 -0.789634D+01
      3   0.152140D+01  0.711674D+01  0.572363D+02  0.375166D+01 -0.359550D+01
      4  -0.997525D+00 -0.208823D+01 -0.191617D+02 -0.162399D+02  0.245069D+01
      5  -0.914609D+00 -0.782121D+01  0.103105D+01 -0.293903D+00  0.797630D+00
      6   0.234398D+00 -0.118712D-01 -0.101277D+01 -0.533207D+01 -0.909760D+00
                16            17            18            19            20 
      1  -0.494880D+00  0.209228D+01 -0.929536D+01  0.571779D+02  0.515852D+02
      2  -0.200530D+01 -0.144541D+01 -0.481286D+00 -0.316317D+02 -0.346690D+02
      3   0.250018D+01 -0.646867D+00  0.977665D+01 -0.255463D+02 -0.169162D+02
      4   0.391472D+00  0.248426D+01 -0.269964D+01  0.393235D+02 -0.419538D+01
      5   0.441453D+00 -0.236761D+01  0.383634D+01 -0.133273D+02 -0.441878D+01
      6  -0.207785D+01  0.472101D+01  0.534861D+00 -0.108486D+01  0.965363D+01
                21            22            23            24            25 
      1  -0.153701D+02 -0.142256D+02  0.228912D+02 -0.820914D+01 -0.693039D+01
      2   0.857546D+01  0.193180D+02 -0.267670D+02  0.450237D+01 -0.130374D+01
      3   0.679461D+01 -0.509239D+01  0.387572D+01  0.370677D+01  0.823413D+01
      4  -0.355635D+01  0.167614D+02  0.153670D+01 -0.144232D+01 -0.109712D+02
      5  -0.210111D+01 -0.644723D+01 -0.164933D+01 -0.564821D+01  0.925846D+01
      6  -0.135418D+01 -0.340715D+01  0.768390D+01  0.452594D+01  0.379406D+00
                26            27            28            29            30 
      1  -0.167191D+02 -0.565998D+01  0.220636D+02 -0.316204D+01  0.108465D+02
      2   0.952373D+01 -0.508114D+01 -0.283100D+02  0.523410D+01 -0.466130D+01
      3   0.719535D+01  0.107411D+02  0.624633D+01 -0.207206D+01 -0.618522D+01
      4  -0.143757D+01 -0.358729D+01 -0.109586D+02  0.868986D+01 -0.162755D+01
      5  -0.811802D+01  0.427753D+01  0.130259D+02 -0.173647D+01  0.691925D+01
      6   0.854978D+01  0.377724D+01  0.395758D+01 -0.456354D+01  0.165691D+01
                31            32            33            34            35 
      1  -0.316047D+02 -0.655249D+02  0.910716D+01  0.155151D+02  0.104217D+02
      2   0.249110D+02  0.553378D+02 -0.103182D+02 -0.118734D+01 -0.762794D+01
      3   0.669371D+01  0.101871D+02  0.121102D+01 -0.143278D+02 -0.279377D+01
      4  -0.359823D+02  0.363675D+01 -0.174091D+01  0.808702D+01 -0.306357D+01
      5   0.958165D+01  0.124472D+01  0.490097D+00  0.245271D+02  0.425422D+01
      6   0.687452D+00 -0.153469D+02 -0.529971D+00 -0.230930D+00  0.591438D+01
                36            37            38            39            40 
      1  -0.744593D+01 -0.110405D+02 -0.659766D+02  0.107110D+02  0.278912D+02
      2  -0.664335D+01  0.558576D+01  0.503340D+02 -0.352183D+01 -0.281644D+02
      3   0.140893D+02  0.545474D+01  0.156427D+02 -0.718920D+01  0.273123D+00
      4  -0.813775D+00 -0.876692D+01 -0.856937D+01  0.510303D+01  0.115689D+02
      5  -0.157539D+01 -0.242265D+01  0.891073D+01  0.471347D+01  0.275697D+01
      6   0.580901D+00  0.507193D+01 -0.914430D+01  0.109340D+02  0.483220D+01
                41            42            43            44            45 
      1   0.402971D+02 -0.512208D+01  0.545465D+01  0.769579D+01 -0.165842D+02
      2  -0.351254D+02  0.603968D+01  0.722827D+01 -0.193611D+00  0.350091D+00
      3  -0.517164D+01 -0.917599D+00 -0.126829D+02 -0.750218D+01  0.162341D+02
      4  -0.157150D+02  0.354181D+01  0.949785D+01  0.537467D+01  0.780164D+01
      5   0.919447D+00  0.461084D+01  0.158652D+02  0.490517D+01 -0.605175D+01
      6   0.120345D+02 -0.140914D+01  0.178236D+02  0.105075D+02 -0.775425D+01
                46            47            48            49            50 
      1   0.179408D+02  0.481586D+02 -0.129361D+02 -0.167463D+02  0.125064D+01
      2  -0.134920D+02 -0.343853D+02  0.464909D+01  0.135608D+02 -0.118684D+02
      3  -0.444881D+01 -0.137733D+02  0.828704D+01  0.318550D+01  0.106177D+02
      4  -0.743491D-01 -0.684586D+01  0.287740D+00  0.445882D+01  0.134723D+02
      5   0.110223D+02 -0.140544D+01 -0.127481D+01  0.263200D+01 -0.140020D+01
      6  -0.846925D+00  0.127699D+02 -0.106208D+02 -0.296101D+01  0.455101D+01
                51            52            53            54            55 
      1  -0.341138D+00 -0.281802D+01 -0.615174D+01 -0.231769D+02  0.199673D+02
      2   0.400896D+01  0.340033D+00  0.142433D+02  0.108741D+02 -0.172756D+02
      3  -0.366782D+01  0.247799D+01 -0.809158D+01  0.123028D+02 -0.269168D+01
      4  -0.199417D+01 -0.628309D+00  0.192912D+01 -0.374209D+01  0.294632D+02
      5  -0.288556D+00  0.361168D+01 -0.147927D+00  0.406915D+01 -0.123274D+02
      6   0.744947D+01 -0.428356D+01  0.225808D+02 -0.529274D+01 -0.241527D+01
                56            57            58            59            60 
      1   0.524221D+02 -0.107604D+02  0.500991D+01  0.249652D+02 -0.456061D+01
      2  -0.322144D+02  0.449116D+01  0.697357D+00 -0.248616D+02  0.408948D+01
      3  -0.202077D+02  0.626927D+01 -0.570727D+01 -0.103625D+00  0.471138D+00
      4  -0.361226D+02 -0.227027D+00  0.310001D+02  0.167621D+02 -0.166710D+01
      5  -0.100117D+01 -0.109076D+02 -0.477835D+01 -0.466353D+00  0.492035D+01
      6   0.406863D+01 -0.905844D+01 -0.132983D+01  0.512068D+01  0.693144D+01
                61            62            63            64            65 
      1  -0.448901D+01 -0.985065D+01 -0.197510D+02  0.220838D+01 -0.279917D+00
      2   0.303025D+01  0.102191D+02  0.723511D+01  0.989929D+00 -0.110638D+01
      3   0.145876D+01 -0.368459D+00  0.125159D+02 -0.319831D+01  0.138629D+01
      4  -0.474840D+01  0.809657D+01  0.126221D+02 -0.714044D+01  0.897308D+01
      5   0.291427D+01  0.145377D+02  0.139735D+01 -0.296624D+01  0.147943D+01
      6   0.841775D+00  0.207547D+02  0.249185D+00  0.189096D+01 -0.156365D+01
                66            67            68            69            70 
      1  -0.849568D+00  0.372027D+01 -0.221399D+02 -0.916338D-01 -0.301693D+01
      2   0.384290D+00 -0.723316D+01  0.278931D+02  0.136329D-03  0.219308D+01
      3   0.465278D+00  0.351289D+01 -0.575318D+01  0.914975D-01  0.823853D+00
      4   0.616915D+00  0.127342D+02 -0.179220D+02 -0.297535D+00  0.553721D+00
      5   0.837344D+00  0.154729D+01 -0.318268D+00 -0.231097D+01  0.348848D+00
      6  -0.539916D+00 -0.231200D+01  0.421399D+01  0.516758D+01 -0.198289D+01
                71            72            73            74            75 
      1   0.242990D+01 -0.289036D+01  0.481560D+01 -0.426528D+01  0.158881D+01
      2  -0.217745D+01  0.289393D+01  0.456358D+01  0.113833D+02 -0.122326D+01
      3  -0.252448D+00 -0.357615D-02 -0.937918D+01 -0.711799D+01 -0.365549D+00
      4   0.754168D+00 -0.720136D+00  0.278483D+02  0.238972D+02 -0.543540D+01
      5   0.135102D+00  0.131226D-01 -0.889871D+01 -0.557312D+01  0.573712D+01
      6   0.207205D+01 -0.521474D+00 -0.748662D+01 -0.713472D+01  0.505438D+01
                76            77            78            79            80 
      1  -0.736395D+01 -0.153903D+02  0.428303D+01 -0.664894D+00  0.235540D+01
      2   0.159647D+02  0.256640D+02 -0.377921D+01 -0.240425D+01 -0.314064D+01
      3  -0.860079D+01 -0.102737D+02 -0.503821D+00  0.306914D+01  0.785242D+00
      4   0.269812D+02  0.307131D+02 -0.595164D+01 -0.654116D+01 -0.548013D+01
      5  -0.603917D+01 -0.626212D+01  0.499763D+01  0.183737D+01  0.352063D+01
      6  -0.866350D+01 -0.107742D+02  0.763281D+01  0.694698D+00  0.458560D+01
                81            82            83            84            85 
      1  -0.893492D+00 -0.538340D+01  0.995959D+01 -0.391985D+00  0.623883D+01
      2   0.142279D+01  0.800016D+01 -0.140910D+02  0.433840D+00 -0.762985D+01
      3  -0.529300D+00 -0.261676D+01  0.413143D+01 -0.418555D-01  0.139103D+01
      4   0.376353D+01 -0.526035D+01  0.134471D+02 -0.122318D+01  0.823531D+01
      5  -0.191709D+01  0.165031D+01 -0.258569D+01  0.213545D+01 -0.165569D+01
      6  -0.240190D+01 -0.169696D+01  0.203116D+01 -0.213382D+01  0.206032D+01
                86            87            88            89            90 
      1  -0.547674D+02  0.630609D+01 -0.264308D+00  0.437426D+01 -0.235265D+01
      2   0.727035D+02 -0.581113D+01  0.731094D+00 -0.532433D+01  0.248070D+01
      3  -0.179361D+02 -0.494959D+00 -0.466787D+00  0.950064D+00 -0.128053D+00
      4  -0.151169D+02  0.169750D+01 -0.943929D+00 -0.405763D+00 -0.141025D+01
      5   0.478368D+01 -0.169558D+01  0.103528D+01 -0.166005D+01  0.171619D+00
      6  -0.141170D+02  0.992093D+01  0.652746D+00  0.444663D+01 -0.150748D+01
                91            92            93            94            95 
      1  -0.425802D+02 -0.186636D+02 -0.120226D+02 -0.783752D+01 -0.800111D+00
      2   0.351284D+02  0.155722D+02  0.573123D+01  0.931945D+01  0.843071D+00
      3   0.745174D+01  0.309138D+01  0.629139D+01 -0.148193D+01 -0.429604D-01
      4  -0.118045D+02 -0.994287D+01  0.259793D+01 -0.202198D+02  0.856703D+01
      5  -0.150558D+02  0.236420D+01 -0.222064D+02  0.906176D+01  0.247156D+02
      6   0.732265D+00  0.505768D+01  0.425159D+00  0.638998D+01 -0.307387D+01
                96            97            98            99           100 
      1   0.977162D+01 -0.313817D+02 -0.107191D+01 -0.194898D+02 -0.577102D+02
      2  -0.103033D+02  0.232659D+02 -0.426000D+01  0.121597D+02  0.314092D+02
      3   0.531703D+00  0.811580D+01  0.533191D+01  0.733009D+01  0.263010D+02
      4   0.246982D+02  0.245184D+01  0.213934D+02 -0.102205D+02  0.286243D+02
      5  -0.243825D+01 -0.420165D+02 -0.121883D+02  0.215681D+01  0.296139D+02
      6  -0.949889D+01 -0.606600D+01 -0.186951D+01  0.702816D+01 -0.625033D+01
               101           102           103           104           105 
      1   0.267135D+02  0.275323D+02  0.646223D+01  0.524245D+01 -0.492159D+01
      2  -0.190591D+02 -0.596810D+01 -0.832629D+01 -0.508809D+01  0.192545D+02
      3  -0.765445D+01 -0.215642D+02  0.186406D+01 -0.154367D+00 -0.143329D+02
      4   0.103073D+02 -0.111016D+01  0.148067D+02 -0.122650D+02 -0.247439D+02
      5  -0.589109D+00  0.208492D+02  0.121299D+01 -0.260561D+02  0.592801D+01
      6  -0.393377D+01 -0.126966D+02 -0.673803D+01  0.129506D+02 -0.104379D+01
               106           107           108           109           110 
      1   0.199006D+02  0.144415D+01  0.370634D+02 -0.994899D+02 -0.145587D+02
      2  -0.828163D+01  0.148768D+02 -0.146913D+02  0.396392D+02  0.131144D+01
      3  -0.116190D+02 -0.163209D+02 -0.223720D+02  0.598507D+02  0.132472D+02
      4   0.182467D+01 -0.169962D+02  0.943133D+01 -0.270000D+02 -0.229333D+02
      5   0.137041D+02  0.152028D+02  0.137749D+02 -0.199663D+02 -0.772954D+01
      6  -0.734898D+01 -0.704280D+01 -0.155702D+02 -0.252116D+01 -0.212269D+01
               111           112           113           114           115 
      1  -0.130844D+02 -0.141031D+02 -0.789697D+01 -0.613604D+01  0.456623D+02
      2   0.379419D+01  0.270923D+01  0.696087D+01  0.163591D+01 -0.366200D+02
      3   0.929021D+01  0.113939D+02  0.936092D+00  0.450013D+01 -0.904225D+01
      4  -0.610611D+01  0.106964D+02 -0.893907D+01 -0.330320D+01 -0.341113D+01
      5  -0.142099D+02 -0.619734D+01 -0.390964D+01 -0.277726D+01  0.431685D+02
      6  -0.272390D+01 -0.444885D+01  0.233961D+00  0.374350D+01  0.860471D+01
               116           117           118           119           120 
      1   0.106153D+01  0.335457D+02  0.175273D+02  0.929627D+01 -0.641033D+01
      2  -0.274029D+01 -0.117246D+02 -0.127381D+02 -0.674989D+01  0.569620D+01
      3   0.167876D+01 -0.218211D+02 -0.478929D+01 -0.254639D+01  0.714130D+00
      4  -0.120418D+01  0.419563D+01  0.152362D+02  0.126354D+02 -0.561059D+01
      5   0.528594D+01  0.283263D+01 -0.166281D+02 -0.660759D+01  0.177437D+02
      6  -0.296236D+01 -0.450432D+00 -0.550813D+01 -0.325609D+01  0.308710D+01
               121           122           123           124           125 
      1   0.199593D+02  0.201926D+01 -0.131292D+01 -0.869398D+01 -0.545003D+00
      2  -0.129892D+02 -0.847646D+00  0.358171D+01  0.890183D+01  0.437966D+01
      3  -0.697003D+01 -0.117161D+01 -0.226879D+01 -0.207855D+00 -0.383466D+01
      4   0.150113D+02  0.194217D+02 -0.153947D+02 -0.710134D+01 -0.164922D+02
      5  -0.130863D+02 -0.159796D+02  0.146333D+02  0.240613D+02  0.127427D+02
      6  -0.491119D+01 -0.890840D+01  0.897668D+01  0.501190D+01  0.789258D+01
               126           127           128           129           130 
      1   0.171908D+01 -0.567276D+01 -0.100409D+02 -0.206738D+02 -0.105913D+01
      2  -0.104047D+02  0.382360D+00  0.629479D+01  0.376602D+01  0.228177D+00
      3   0.868564D+01  0.529039D+01  0.374612D+01  0.169077D+02  0.830956D+00
      4   0.124613D+02  0.770565D+00 -0.555414D+01 -0.153616D+01  0.768272D+00
      5  -0.276409D+02 -0.392396D+01 -0.412202D+01 -0.103624D+02  0.101046D+01
      6  -0.801949D+01  0.327005D+01  0.635641D+01  0.113091D+02  0.121012D+01
               131           132           133           134           135 
      1  -0.998450D+01 -0.837655D+01 -0.123568D+02 -0.127204D+02 -0.386116D+02
      2   0.616801D+01  0.313332D+01  0.466618D+01  0.394077D+01 -0.190225D+01
      3   0.381649D+01  0.524322D+01  0.769059D+01  0.877958D+01  0.405139D+02
      4  -0.484253D+01 -0.399983D+01  0.752879D+01 -0.112333D+02 -0.118175D+02
      5  -0.392563D+01 -0.690728D+01  0.572956D+01 -0.155879D+02 -0.409068D+02
      6   0.695507D+01  0.117657D+02  0.250587D+00  0.158167D+02  0.291473D+02
               136           137           138           139           140 
      1   0.367868D+00 -0.909080D+01  0.774318D+00 -0.768042D+01 -0.165613D+02
      2   0.210186D+01  0.893426D+01 -0.285455D+01  0.269412D+01  0.305633D+02
      3  -0.246973D+01  0.156539D+00  0.208023D+01  0.498630D+01 -0.140020D+02
      4  -0.250144D+01 -0.386765D+01 -0.691563D+00  0.889496D+01 -0.280254D+02
      5   0.160551D+01  0.100747D+01 -0.455231D+01  0.199157D+01  0.112294D+02
      6  -0.140262D+01  0.529912D+00  0.339613D+01 -0.172309D+00 -0.309151D+01
               141           142           143           144           145 
      1   0.532332D+01  0.552815D+01  0.709187D+01 -0.955543D+01  0.939629D+02
      2  -0.123876D+02 -0.186033D+01 -0.167484D+02  0.995512D+01 -0.475965D+02
      3   0.706431D+01 -0.366781D+01  0.965650D+01 -0.399689D+00 -0.463664D+02
      4   0.920622D+01 -0.852359D+01  0.211882D+02 -0.813663D+01 -0.521203D+02
      5  -0.117300D+02 -0.146961D+01 -0.100247D+02  0.125424D+02 -0.392829D+02
      6   0.776713D+01  0.879821D+00  0.572855D+01 -0.648001D+01  0.106665D+02
               146           147           148           149           150 
      1  -0.185890D+02 -0.142297D+02 -0.931177D+01  0.796890D+01  0.107209D+01
      2   0.515075D+01  0.100100D+02  0.117736D+01 -0.115839D+01 -0.121417D+01
      3   0.134383D+02  0.421978D+01  0.813441D+01 -0.681051D+01  0.142081D+00
      4   0.258656D+02  0.110307D+02  0.167341D+02 -0.860290D+01 -0.918771D+00
      5   0.109463D+02  0.206875D+02  0.288082D+01 -0.225483D+01 -0.174682D+01
      6  -0.621005D+01 -0.642442D+01 -0.395004D+01  0.112475D+01  0.245299D+01
               151           152           153           154           155 
      1  -0.101548D+02  0.140626D+01  0.532462D+01  0.207866D+03  0.267085D+02
      2   0.775580D+01 -0.257773D+01 -0.517079D+01 -0.975483D+02 -0.945383D+01
      3   0.239899D+01  0.117147D+01 -0.153827D+00 -0.110318D+03 -0.172546D+02
      4   0.481882D+01 -0.603517D+00 -0.581764D+01  0.375030D+02  0.431028D+02
      5   0.163489D+02 -0.528419D+01 -0.987838D+01  0.412188D+02  0.871961D+01
      6  -0.424335D+01  0.316650D+01  0.362075D+01  0.868204D+00  0.444081D+01
               156           157           158           159           160 
      1   0.128927D+02  0.231334D+02  0.352154D+02  0.684300D+00  0.128270D+02
      2  -0.119315D+02 -0.606344D+01 -0.120273D+02 -0.682604D+00 -0.114473D+02
      3  -0.961217D+00 -0.170700D+02 -0.231881D+02 -0.169548D-02 -0.137973D+01
      4   0.654742D+01  0.516164D+02  0.259345D+02  0.562229D+01  0.525470D+01
      5   0.452016D+02  0.483363D+01  0.946332D+01  0.676881D+01  0.385793D+02
      6   0.175477D+01  0.987953D+01  0.373072D+01  0.598147D+01  0.218226D+01
               161           162           163           164           165 
      1   0.141691D+01  0.215123D+02  0.671251D+02  0.675843D+01  0.214999D+02
      2  -0.130973D+01 -0.152259D+02 -0.456656D+02 -0.272303D+01 -0.129236D+02
      3  -0.107177D+00 -0.628640D+01 -0.214595D+02 -0.403540D+01 -0.857629D+01
      4   0.268510D+01  0.594085D+01  0.835870D+01  0.685125D+01 -0.107581D+01
      5   0.659216D+01  0.117332D+02  0.406117D+02 -0.583396D+00  0.219459D+02
      6   0.460373D+01  0.189240D+01  0.392241D+01  0.586542D+00  0.771786D+00
               166           167           168           169           170 
      1   0.130638D+02 -0.117847D+02 -0.408622D-01 -0.929312D+01 -0.314904D+01
      2  -0.752448D+01  0.376089D+01  0.509064D+00  0.280551D+01  0.194115D+01
      3  -0.553928D+01  0.802378D+01 -0.468201D+00  0.648761D+01  0.120789D+01
      4   0.220799D+01 -0.226425D+01  0.103645D+02 -0.309408D+01  0.529439D+01
      5   0.445983D+01  0.929739D+01 -0.409715D+00  0.923538D+01 -0.998038D+00
      6   0.225057D+01  0.248739D+00  0.120000D+02 -0.235647D+01  0.110648D+02
               171           172           173           174           175 
      1  -0.387784D+02 -0.584384D+02 -0.226602D+01  0.265109D+01 -0.865815D+01
      2  -0.925622D+01  0.371650D+02  0.145723D+01  0.834123D+01  0.641839D+01
      3   0.480347D+02  0.212735D+02  0.808795D+00 -0.109923D+02  0.223976D+01
      4  -0.227408D+01 -0.422796D+01 -0.460936D+01  0.490613D+00  0.349197D+00
      5   0.382835D+02 -0.307909D+02  0.829501D+00 -0.200168D+02 -0.328825D+01
      6  -0.115834D+01 -0.326783D+01 -0.338491D+01  0.380343D-01 -0.620863D+00
               176           177           178           179           180 
      1  -0.412221D+01  0.662017D+00 -0.182805D+02 -0.948258D+00 -0.104422D+02
      2   0.227942D+01  0.123283D+01  0.170885D+02  0.985655D+00  0.627569D+01
      3   0.184279D+01 -0.189485D+01  0.119200D+01 -0.373963D-01  0.416646D+01
      4  -0.472355D+00  0.305095D+01 -0.172912D+01 -0.987742D+00 -0.123961D+00
      5   0.284749D+01 -0.288191D+01 -0.164202D+02  0.267486D+00 -0.604116D+01
      6  -0.102437D+01  0.304605D+01 -0.961048D+00  0.541705D+00 -0.110704D+01
               181           182           183           184           185 
      1  -0.379253D+01 -0.522956D+02  0.783557D+01  0.873873D+02  0.252853D+02
      2   0.507894D+01  0.363873D+02 -0.327282D+01 -0.604579D+02 -0.206539D+02
      3  -0.128642D+01  0.159082D+02 -0.456275D+01 -0.269294D+02 -0.463141D+01
      4  -0.190515D+02  0.441260D+02  0.340648D+01  0.222968D+02 -0.296190D+02
      5   0.115770D+02  0.430624D+01  0.151160D+02 -0.495656D+01  0.636020D+01
      6   0.527832D+01  0.109027D+01  0.107065D+02  0.392389D+01  0.455105D+01
               186           187           188           189           190 
      1  -0.905641D+01 -0.351262D+01  0.714086D+01  0.528726D+00  0.123677D+03
      2   0.719495D+01  0.681823D+01 -0.216752D+01 -0.846575D+01 -0.676858D+02
      3   0.186147D+01 -0.330561D+01 -0.497335D+01  0.793702D+01 -0.559908D+02
      4   0.367780D+01  0.736525D+01  0.287311D+01  0.177215D+02  0.941999D+01
      5   0.904661D+01  0.280809D+02  0.181106D+02 -0.731349D+01 -0.724343D+00
      6   0.238589D+01  0.155115D+02  0.962675D+01 -0.329219D+01  0.256970D+01
               191           192           193           194           195 
      1   0.268526D+02 -0.113285D+02 -0.200947D+02 -0.202771D+02  0.714439D+01
      2  -0.165064D+02  0.289009D+01  0.223932D+02  0.248597D+02 -0.813547D+01
      3  -0.103462D+02  0.843846D+01 -0.229854D+01 -0.458256D+01  0.991081D+00
      4   0.259506D+02 -0.383288D+01 -0.187383D+02  0.536404D+02 -0.324517D+01
      5  -0.512355D+01  0.319155D+01  0.769750D+01 -0.706436D+01 -0.606346D+00
      6   0.297575D+01 -0.415224D+01  0.117565D+01 -0.351065D+01 -0.394995D+01
               196           197           198           199           200 
      1  -0.184462D+00  0.231962D+01  0.254908D+02 -0.117238D+03 -0.914077D+01
      2  -0.172148D+00 -0.240648D+01 -0.226639D+02  0.519352D+02  0.425530D+01
      3   0.356610D+00  0.868624D-01 -0.282689D+01  0.653028D+02  0.488546D+01
      4   0.607183D+01 -0.793798D+01  0.930344D-01 -0.137769D+02 -0.303505D+02
      5   0.515801D+02  0.515921D+01 -0.622814D+01  0.138494D+02  0.188973D+01
      6  -0.123768D+01  0.412854D+01  0.305850D+01 -0.270294D+01  0.197399D+01
               201           202           203           204           205 
      1   0.952043D+01 -0.849115D+02 -0.980561D+01  0.573887D+01  0.212173D+02
      2  -0.436927D+01  0.543774D+02 -0.771532D+01 -0.197760D+01 -0.125588D+02
      3  -0.515116D+01  0.305341D+02  0.175209D+02 -0.376127D+01 -0.865848D+01
      4   0.149257D+01 -0.694088D+01 -0.159881D+02 -0.856637D+00 -0.626279D+00
      5   0.424907D+01  0.651282D+01  0.550423D+00 -0.995414D+01  0.288736D+01
      6   0.101916D+00 -0.378811D+01  0.403002D+01  0.600381D+01 -0.329007D+01
               206           207           208           209           210 
      1  -0.411690D+01 -0.205967D+02  0.167246D+02 -0.274916D+02  0.638823D+01
      2   0.616804D+01  0.346523D+01 -0.100781D+02  0.156201D+02  0.962508D+00
      3  -0.205114D+01  0.171314D+02 -0.664653D+01  0.118715D+02 -0.735074D+01
      4   0.176553D+01 -0.247474D+02 -0.219518D+02  0.105072D+02  0.437446D+01
      5  -0.264268D+02  0.101932D+02  0.694874D-01  0.436281D+01  0.282396D+02
      6   0.163006D+02 -0.621953D+00  0.823213D+00 -0.276815D+01  0.460237D+01
               211           212           213           214           215 
      1   0.999959D+01  0.180988D+02 -0.214073D+00 -0.196617D+00  0.750626D+00
      2  -0.101781D+02 -0.679595D+01  0.280547D+01  0.140579D+01 -0.176961D-01
      3   0.178476D+00 -0.113029D+02 -0.259140D+01 -0.120918D+01 -0.732930D+00
      4   0.468573D+02 -0.145979D+02 -0.177039D+01 -0.229583D+01 -0.407055D+00
      5  -0.199808D+01  0.769609D+00  0.999601D+01  0.114401D+02 -0.572149D+01
      6  -0.134203D+01  0.217954D+01  0.836477D+01 -0.349521D+01  0.451003D+01
               216           217           218           219           220 
      1   0.181925D+01 -0.553912D+02  0.483956D+02 -0.123584D+01  0.353380D+02
      2  -0.812068D+00  0.312377D+02 -0.262899D+02 -0.110943D+01 -0.159328D+02
      3  -0.100718D+01  0.241535D+02 -0.221057D+02  0.234526D+01 -0.194051D+02
      4  -0.681264D+01  0.464583D+02 -0.240244D+01 -0.132355D+02 -0.432291D+02
      5  -0.483304D+01 -0.719244D+00 -0.141128D+02 -0.916247D+01 -0.138038D+02
      6  -0.139543D+01 -0.595463D+01 -0.877221D+00 -0.152911D+01 -0.110559D+01
               221           222           223           224           225 
      1  -0.159233D+02 -0.191612D+02 -0.438491D+01 -0.161823D+02 -0.101968D+01
      2   0.752521D+01  0.485662D+00 -0.361892D+01  0.186118D+01  0.315224D+01
      3   0.839805D+01  0.186756D+02  0.800383D+01  0.143211D+02 -0.213255D+01
      4  -0.265193D+02 -0.908168D+01 -0.127783D+02 -0.101561D+02 -0.501092D+02
      5  -0.104062D+02 -0.753406D+02 -0.303260D+02 -0.520225D+02  0.236025D+02
      6  -0.120747D+01 -0.155251D+02 -0.127619D+02 -0.120554D+02  0.820425D+01
               226           227           228           229           230 
      1  -0.526451D+01  0.147702D+02 -0.520889D+00  0.550434D+01 -0.501116D+02
      2   0.632647D+01 -0.145187D+02  0.530508D+00 -0.462576D+01  0.620909D+02
      3  -0.106196D+01 -0.251495D+00 -0.961956D-02 -0.878584D+00 -0.119793D+02
      4   0.140184D+01  0.440979D+01 -0.804471D+00  0.326241D+01  0.194100D+02
      5   0.188666D+00 -0.115853D+01  0.116224D+01 -0.188430D+00  0.116391D+01
      6  -0.227941D+00 -0.300520D+00 -0.161650D+01  0.372408D+00 -0.298362D+01
               231           232           233           234           235 
      1   0.390550D+01  0.221837D+00  0.307754D+01 -0.196159D+01  0.402195D+02
      2  -0.383442D+01 -0.137761D+00 -0.407701D+01  0.225636D+01 -0.151430D+02
      3  -0.710754D-01 -0.840769D-01  0.999479D+00 -0.294771D+00 -0.250764D+02
      4  -0.124036D+01 -0.569675D+00 -0.245153D+01 -0.122797D+01  0.329039D+02
      5   0.204697D+01  0.171127D+01 -0.750768D+00 -0.136831D+00 -0.791388D+01
      6   0.763281D+01 -0.155813D+00  0.281628D+01 -0.824744D+00 -0.312029D+01
               236           237           238           239           240 
      1   0.128216D+02 -0.528909D+01  0.186330D+02  0.696103D+01 -0.187804D+01
      2  -0.248366D+00  0.218846D+01  0.134107D+01  0.111686D+02 -0.425061D+00
      3  -0.125732D+02  0.310063D+01 -0.199741D+02 -0.181296D+02  0.230310D+01
      4   0.259601D+02 -0.542541D+01  0.385496D+02  0.407349D+02 -0.699138D+01
      5  -0.392050D+01  0.480505D+01 -0.609469D+01 -0.469094D+01  0.658182D+01
      6  -0.247568D+01  0.252506D+01 -0.394673D+01 -0.452173D+01  0.527445D+01
               241           242           243           244           245 
      1  -0.735319D+01 -0.223959D+01 -0.648592D+00 -0.161068D+00 -0.594179D+01
      2   0.179053D+01 -0.798385D+00  0.104963D+01  0.533706D+01 -0.263828D+01
      3   0.556266D+01  0.303798D+01 -0.401040D+00 -0.517599D+01  0.858006D+01
      4  -0.820584D+01 -0.703392D+01  0.285461D+01 -0.197203D+02  0.215575D+02
      5  -0.549496D+00  0.171290D+01 -0.133008D+01  0.265235D+01 -0.141247D+01
      6  -0.444160D+00  0.188378D+01 -0.108481D+01 -0.872084D+00  0.665023D-01
               246           247           248           249           250 
      1   0.110331D+01 -0.368949D+01 -0.163865D+02  0.116311D+01  0.829319D+00
      2  -0.558291D+00 -0.853402D+01  0.339628D+02 -0.893794D+00 -0.102007D+00
      3  -0.545022D+00  0.122235D+02 -0.175763D+02 -0.269318D+00 -0.727312D+00
      4  -0.360652D+00  0.289730D+02 -0.549514D+02  0.309712D+01 -0.954524D+00
      5   0.318298D+01 -0.298497D+01  0.631005D+01 -0.678574D+01  0.215493D+01
      6  -0.188376D+01  0.163815D+01 -0.328452D+01  0.693239D+01 -0.251169D+01
               251           252           253           254           255 
      1   0.228850D+01 -0.141834D+01  0.241404D+00  0.140378D+01 -0.122590D+02
      2  -0.249144D+01  0.246143D+01 -0.120985D+01 -0.597857D+00  0.443612D+01
      3   0.202942D+00 -0.104309D+01  0.968444D+00 -0.805924D+00  0.782284D+01
      4   0.339958D+01 -0.172577D+01 -0.642247D+00 -0.821949D+00 -0.138166D+01
      5  -0.860155D+00  0.328895D+00 -0.932203D+01 -0.812526D+00 -0.127186D+01
      6   0.281277D+01 -0.838990D+00 -0.144815D+01  0.508208D+00 -0.134319D+01
               256           257           258           259           260 
      1   0.136877D+02  0.375871D+01 -0.143903D+01 -0.360795D+02 -0.107660D+01
      2  -0.840346D+01 -0.119868D+01  0.350126D+01  0.254670D+02  0.343821D+01
      3  -0.528429D+01 -0.256003D+01 -0.206223D+01  0.106125D+02 -0.236162D+01
      4   0.229143D+02  0.251422D+02 -0.207889D+02 -0.169987D+02 -0.217516D+02
      5  -0.165288D+02 -0.202817D+02  0.359607D+02  0.440473D+02  0.317327D+02
      6  -0.575901D+01 -0.849786D+01  0.121354D+02  0.100354D+02  0.116694D+02
               261           262           263           264           265 
      1   0.501389D+01  0.192285D+02  0.771872D+01  0.127703D+02  0.326050D+02
      2  -0.174658D+02 -0.842434D+01 -0.267170D+01 -0.616755D+01 -0.129711D+02
      3   0.124519D+02 -0.108041D+02 -0.504701D+01 -0.660271D+01 -0.196339D+02
      4   0.307472D+02  0.943866D+01  0.749065D+01  0.756688D+01  0.390625D+02
      5  -0.698505D+02  0.157091D+02  0.722695D+01  0.365972D+01  0.215515D+02
      6  -0.152774D+02  0.303796D+01  0.844587D+00 -0.268275D+00  0.560611D+01
               266           267           268           269           270 
      1   0.163231D+02  0.109095D+02  0.484670D+02  0.134398D+02  0.119798D+02
      2  -0.771591D+00 -0.154436D+01 -0.235520D+02 -0.341277D+01 -0.834813D+01
      3  -0.155516D+02 -0.936518D+01 -0.249150D+02 -0.100270D+02 -0.363163D+01
      4   0.425018D+02  0.239473D+02  0.282015D+02  0.299718D+02  0.290348D+02
      5   0.253265D+02  0.326440D+02  0.354807D+02  0.309073D+02  0.413279D+02
      6   0.668126D+01  0.834471D+01  0.903043D+01  0.875164D+01  0.814018D+01
               271           272           273           274           275 
      1   0.184291D+03 -0.329315D+02 -0.118990D+02 -0.755609D+02  0.258636D+02
      2  -0.966480D+02  0.174612D+02  0.751351D+01  0.392622D+02 -0.121092D+02
      3  -0.876429D+02  0.154703D+02  0.438548D+01  0.362987D+02 -0.137544D+02
      4  -0.369771D+02  0.206893D+02  0.384270D+01  0.332725D+02 -0.227129D+02
      5  -0.164811D+02  0.411639D+01  0.185630D+02  0.820544D+01 -0.173907D+01
      6   0.339106D+01 -0.154926D+01 -0.609298D+00 -0.270896D+01  0.198421D+01
               276           277           278           279 
      1   0.600439D+01 -0.760645D+01  0.286035D+01  0.150771D+02
      2  -0.346649D+01  0.560280D+01 -0.122607D+01 -0.927686D+01
      3  -0.253790D+01  0.200364D+01 -0.163427D+01 -0.580024D+01
      4  -0.171281D+01  0.328287D+01  0.333385D+00 -0.217505D+00
      5  -0.694585D+01  0.234287D+02 -0.712850D-01 -0.579280D+01
      6   0.207580D+01 -0.117123D+01  0.268634D+01 -0.350494D-02
 Leave Link  716 at Tue Aug 17 00:27:37 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.319707D+03  0.141902D+02 -0.159805D+02
      2   0.141902D+02  0.177896D+03 -0.534954D+01
      3  -0.159805D+02 -0.534954D+01  0.123031D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.110280D+02 -0.294159D+02  0.133076D+02
      2   0.823056D+02  0.172122D+02  0.164772D+02
      3   0.436422D+02  0.542342D+02 -0.213650D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.351748D+03 -0.441695D+02  0.913700D+02
      2   0.166497D+03  0.215881D+02 -0.483309D+02
      3   0.185252D+03  0.225814D+02 -0.430392D+02
      4  -0.594350D+02 -0.119329D+03  0.417591D+02
      5   0.266640D+02  0.459040D+02  0.405436D+02
      6   0.130046D+02 -0.712207D+02 -0.357345D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.434165D+02  0.943260D+01 -0.391930D+01 -0.458063D+02 -0.553198D+01
      2   0.943260D+01  0.505599D+01 -0.177719D+01 -0.553198D+01 -0.577555D+01
      3  -0.391930D+01 -0.177719D+01  0.672519D-01  0.488775D+01  0.993090D+00
                 6             7             8             9            10 
      1   0.488775D+01  0.735178D+00 -0.518650D+00  0.126179D+01 -0.356647D+02
      2   0.993090D+00 -0.518650D+00 -0.159802D+00 -0.100483D+01 -0.789331D+01
      3  -0.362234D+00  0.126179D+01 -0.100483D+01  0.105967D+00  0.311946D+01
                11            12            13            14            15 
      1  -0.789331D+01  0.311946D+01  0.506036D+02  0.688721D+01 -0.564948D+01
      2  -0.105762D+01  0.569406D+00  0.688721D+01  0.763396D+01 -0.170244D+01
      3   0.569406D+00 -0.257348D+00 -0.564948D+01 -0.170244D+01  0.259609D+00
                16            17            18            19            20 
      1  -0.850318D+00  0.322355D+00 -0.473154D+00 -0.500239D+02 -0.103787D+02
      2   0.322355D+00 -0.388289D+00  0.118727D+01 -0.103787D+02 -0.949632D+01
      3  -0.473154D+00  0.118727D+01 -0.260353D+00  0.355450D+01  0.171305D+01
                21            22            23            24            25 
      1   0.355450D+01 -0.198188D+02 -0.217434D+01  0.139042D-01  0.821045D+01
      2   0.171305D+01 -0.217434D+01 -0.543764D+01  0.511982D+00  0.307986D+00
      3  -0.615828D+00  0.139042D-01  0.511982D+00 -0.203535D+01  0.579387D+00
                26            27            28            29            30 
      1   0.307986D+00  0.579387D+00  0.558508D+02  0.506180D+01 -0.481728D+00
      2   0.988356D+00 -0.376656D+01  0.506180D+01  0.450097D+01 -0.701637D+00
      3  -0.376656D+01  0.577443D+00 -0.481728D+00 -0.701637D+00  0.211177D+01
                31            32            33            34            35 
      1   0.780428D+01  0.291516D+01 -0.105410D+00 -0.425416D+01 -0.272332D+00
      2   0.291516D+01  0.153769D+02 -0.282443D+01 -0.272332D+00 -0.285396D+01
      3  -0.105410D+00 -0.282443D+01  0.297420D+00  0.621729D+01  0.112579D+01
                36            37            38            39            40 
      1   0.621729D+01  0.700743D+01 -0.120296D+01 -0.306093D+00  0.837941D+01
      2   0.112579D+01 -0.120296D+01  0.130811D+02 -0.142448D+01  0.818992D+00
      3  -0.140114D+01 -0.306093D+00 -0.142448D+01  0.218653D+01  0.669074D+00
                41            42            43            44            45 
      1   0.818992D+00  0.669074D+00 -0.954602D+00  0.115854D+01  0.451222D+01
      2  -0.837563D+01  0.162497D+01  0.115854D+01 -0.418312D+00  0.223801D+01
      3   0.162497D+01  0.667164D+00  0.451222D+01  0.223801D+01 -0.242299D+01
                46            47            48            49            50 
      1  -0.115838D+02  0.177423D+01  0.156888D+01  0.149140D+01  0.321122D+01
      2   0.177423D+01 -0.928522D+01  0.204929D+01  0.321122D+01  0.345207D+00
      3   0.156888D+01  0.204929D+01 -0.205160D+01 -0.324561D+00  0.332757D+00
                51            52            53            54            55 
      1  -0.324561D+00  0.103340D+01 -0.720814D-01 -0.122610D+01  0.202877D+01
      2   0.332757D+00 -0.720814D-01  0.207055D+01  0.417338D+01 -0.306129D+01
      3   0.154945D+01 -0.122610D+01  0.417338D+01 -0.101955D+01 -0.370242D-01
                56            57            58            59            60 
      1  -0.306129D+01 -0.370242D-01 -0.337107D+01 -0.453002D+01  0.427391D+00
      2   0.532832D+01 -0.238901D+00 -0.453002D+01 -0.227398D+01  0.128407D+00
      3  -0.238901D+00  0.216032D+01  0.427391D+00  0.128407D+00 -0.148086D+01
                61            62            63            64            65 
      1   0.544393D-01  0.406616D+00  0.178947D+00  0.104471D+01 -0.213513D+01
      2   0.406616D+00 -0.134621D+01 -0.411287D+01 -0.213513D+01  0.907779D+00
      3   0.178947D+00 -0.411287D+01  0.501191D+00 -0.164651D+00  0.252346D+00
                66            67            68            69            70 
      1  -0.164651D+00 -0.307036D+01  0.294788D+01  0.113426D+00 -0.471006D+00
      2   0.252346D+00  0.294788D+01 -0.656848D+01 -0.745885D-01  0.191912D+00
      3   0.832742D-01  0.113426D+00 -0.745885D-01 -0.762337D+00 -0.929847D-01
                71            72            73            74            75 
      1   0.191912D+00 -0.929847D-01  0.629014D+01  0.337300D+01 -0.110694D+01
      2   0.403679D+00 -0.985315D-01  0.337300D+01  0.345608D+01 -0.799057D+00
      3  -0.985315D-01 -0.467432D-02 -0.110694D+01 -0.799057D+00  0.773791D+00
                76            77            78            79            80 
      1   0.408789D+01  0.439945D+01 -0.982119D+00 -0.143107D+01 -0.928338D+00
      2   0.439945D+01  0.533591D+01 -0.110102D+01 -0.928338D+00 -0.898171D+00
      3  -0.982119D+00 -0.110102D+01  0.101192D+01 -0.125620D+00  0.580168D+00
                81            82            83            84            85 
      1  -0.125620D+00 -0.100959D+01  0.157077D+01 -0.850291D-01  0.735281D+00
      2   0.580168D+00  0.157077D+01 -0.241873D+01  0.128974D+00 -0.138435D+01
      3  -0.222556D+00 -0.850291D-01  0.128974D+00 -0.206085D+00  0.234849D+00
                86            87            88            89            90 
      1  -0.138435D+01  0.234849D+00 -0.524491D-01 -0.705688D-01  0.125408D+00
      2   0.109341D+02 -0.110453D+01 -0.705688D-01 -0.954242D+00  0.276031D+00
      3  -0.110453D+01  0.111888D+01  0.125408D+00  0.276031D+00 -0.162165D+00
                91            92            93            94            95 
      1  -0.264738D+02 -0.308660D+01 -0.201959D+01 -0.919291D+00 -0.196482D+01
      2  -0.308660D+01 -0.965915D+00 -0.273676D+00 -0.196482D+01  0.816558D+00
      3  -0.201959D+01 -0.273676D+00 -0.300592D+01  0.670344D+00  0.303507D+01
                96            97            98            99           100 
      1   0.670344D+00 -0.929741D+01 -0.640515D+00 -0.605304D+01 -0.700731D+01
      2   0.303507D+01 -0.640515D+00  0.202611D+01 -0.183412D+01  0.152537D+01
      3  -0.564599D+00 -0.605304D+01 -0.183412D+01 -0.482747D+00  0.184902D+01
               101           102           103           104           105 
      1   0.152537D+01  0.184902D+01 -0.167728D+01  0.199854D+01  0.513669D+00
      2   0.167109D+01  0.760056D+00  0.199854D+01 -0.110908D+01 -0.316623D+01
      3   0.760056D+00  0.349626D+01  0.513669D+00 -0.316623D+01  0.115897D+01
               106           107           108           109           110 
      1   0.243399D+01  0.738054D+00  0.227565D+01 -0.360100D+01 -0.131176D+01
      2   0.738054D+00 -0.233478D+01  0.254468D+01 -0.131176D+01 -0.290097D+00
      3   0.227565D+01  0.254468D+01  0.336861D+01 -0.448759D+00 -0.473164D+00
               111           112           113           114           115 
      1  -0.448759D+00 -0.153066D+01  0.882006D+00 -0.554420D-02  0.163138D+02
      2  -0.473164D+00  0.882006D+00 -0.804516D-01 -0.255129D+00  0.668407D+00
      3   0.839520D+00 -0.554420D-02 -0.255129D+00  0.369819D+00  0.655591D+01
               116           117           118           119           120 
      1   0.668407D+00  0.655591D+01  0.399742D+01  0.178000D+01 -0.156964D+01
      2   0.544842D+00  0.470038D+00  0.178000D+01  0.103955D+01 -0.517852D+00
      3   0.470038D+00  0.150195D+00 -0.156964D+01 -0.517852D+00  0.172037D+01
               121           122           123           124           125 
      1   0.626215D+01  0.171861D+01 -0.122726D+01 -0.234563D+01 -0.520951D+00
      2   0.171861D+01  0.255621D+01 -0.195535D+01 -0.520951D+00 -0.201250D+01
      3  -0.122726D+01 -0.195535D+01  0.186931D+01  0.258280D+01  0.160479D+01
               126           127           128           129           130 
      1   0.258280D+01 -0.881493D+00 -0.158203D+00 -0.108479D+01  0.543427D+00
      2   0.160479D+01 -0.158203D+00 -0.110631D+01 -0.103344D+01 -0.242266D+00
      3  -0.346431D+01 -0.108479D+01 -0.103344D+01 -0.269063D+01 -0.948539D-01
               131           132           133           134           135 
      1  -0.242266D+00 -0.948539D-01 -0.174069D+01  0.350266D+00 -0.276085D+00
      2  -0.112984D+01 -0.940718D+00  0.350266D+00 -0.197512D+01 -0.256206D+01
      3  -0.940718D+00 -0.131473D+01 -0.276085D+00 -0.256206D+01 -0.737217D+01
               136           137           138           139           140 
      1  -0.222698D+00 -0.299333D+00  0.383534D+00 -0.140005D+01  0.477561D+00
      2  -0.299333D+00 -0.101926D+01  0.152700D-01  0.477561D+00 -0.441685D+01
      3   0.383534D+00  0.152700D-01 -0.781067D+00  0.856700D-01  0.144731D+01
               141           142           143           144           145 
      1   0.856700D-01  0.144695D+01 -0.778699D+00 -0.259119D+00  0.124243D+02
      2   0.144731D+01 -0.778699D+00  0.302809D+01 -0.145398D+01 -0.324258D+01
      3  -0.168537D+01 -0.259119D+00 -0.145398D+01  0.169056D+01 -0.232619D+01
               146           147           148           149           150 
      1  -0.324258D+01 -0.232619D+01 -0.174491D+01  0.126566D+01  0.124056D+00
      2   0.200380D+01  0.822629D+00  0.126566D+01 -0.551747D+00 -0.473009D-02
      3   0.822629D+00  0.166687D+01  0.124056D+00 -0.473009D-02 -0.131978D+00
               151           152           153           154           155 
      1  -0.138990D+01  0.216418D+00  0.121110D+01  0.192006D+02  0.273264D+01
      2   0.216418D+00  0.409853D-01 -0.547328D+00  0.273264D+01  0.210191D+01
      3   0.121110D+01 -0.547328D+00 -0.978228D+00  0.153594D+01  0.718457D+00
               156           157           158           159           160 
      1   0.153594D+01  0.348459D+01  0.435651D+01  0.219119D+00  0.215257D+01
      2   0.718457D+00  0.435651D+01  0.200504D+01  0.520900D+00  0.567421D+00
      3   0.324421D+01  0.219119D+00  0.520900D+00  0.404097D+00  0.268601D+01
               161           162           163           164           165 
      1   0.567421D+00  0.268601D+01  0.159968D+02  0.556540D+00  0.537725D+01
      2  -0.270172D+00  0.624962D+00  0.556540D+00 -0.531690D+00 -0.288010D+00
      3   0.624962D+00  0.455898D+00  0.537725D+01 -0.288010D+00  0.112027D+01
               166           167           168           169           170 
      1   0.279223D+01 -0.429891D+00  0.477517D+00 -0.252279D+00 -0.651666D+00
      2  -0.429891D+00 -0.323645D+00  0.134899D+01 -0.651666D+00  0.643987D+00
      3   0.477517D+00  0.134899D+01 -0.687788D-01 -0.598415D-02  0.100651D+00
               171           172           173           174           175 
      1  -0.598415D-02 -0.125714D+02  0.959004D-01 -0.310918D+01 -0.144754D+01
      2   0.100651D+00  0.959004D-01 -0.855782D-01  0.204692D+00  0.449773D+00
      3   0.694050D+01 -0.310918D+01  0.204692D+00 -0.337367D+01 -0.439584D+00
               176           177           178           179           180 
      1   0.449773D+00 -0.439584D+00 -0.789063D+01  0.125528D+00 -0.288087D+01
      2  -0.160351D+00  0.747297D+00  0.125528D+00  0.126095D+01 -0.116872D+00
      3   0.747297D+00 -0.614901D+00 -0.288087D+01 -0.116872D+00  0.973140D-01
               181           182           183           184           185 
      1  -0.525001D+01  0.587587D+00 -0.203983D+00 -0.144964D+02 -0.213707D+01
      2   0.587587D+00 -0.101249D+02 -0.111045D-01 -0.213707D+01  0.426820D+01
      3  -0.203983D+00 -0.111045D-01 -0.226614D+01  0.116492D+01 -0.367750D+00
               186           187           188           189           190 
      1   0.116492D+01  0.107423D+01 -0.637851D+00 -0.415357D+01 -0.365913D+02
      2  -0.367750D+00 -0.637851D+00  0.125004D+00 -0.285405D+01 -0.547289D+01
      3  -0.140567D+01 -0.415357D+01 -0.285405D+01  0.186114D+01  0.283901D+01
               191           192           193           194           195 
      1  -0.547289D+01  0.283901D+01 -0.226684D+01 -0.332072D+01 -0.514679D+00
      2  -0.913159D+01  0.996554D+00 -0.332072D+01 -0.111572D+02  0.910755D+00
      3   0.996554D+00 -0.377314D+01 -0.514679D+00  0.910755D+00  0.517037D+00
               196           197           198           199           200 
      1   0.289424D+01  0.195393D+00 -0.724536D+01  0.387876D+02  0.999523D+01
      2   0.195393D+00  0.219250D+01 -0.611013D+00  0.999523D+01  0.734990D+01
      3  -0.724536D+01 -0.611013D+00  0.183423D+01 -0.415517D+01 -0.718279D+00
               201           202           203           204           205 
      1  -0.415517D+01  0.169847D+02  0.403288D+01 -0.186711D+01 -0.654967D+01
      2  -0.718279D+00  0.403288D+01  0.538120D+01 -0.125764D+00 -0.108716D+01
      3   0.640580D+00 -0.186711D+01 -0.125764D+00  0.237285D+01  0.263092D+00
               206           207           208           209           210 
      1  -0.108716D+01  0.263092D+00  0.623481D+01  0.357799D+01 -0.125754D+01
      2  -0.496674D+00  0.467702D+01  0.357799D+01  0.365186D+01 -0.738451D+00
      3   0.467702D+01 -0.128266D+01 -0.125754D+01 -0.738451D+00  0.138458D+00
               211           212           213           214           215 
      1  -0.331842D+01 -0.413823D+01  0.617191D+00 -0.460926D+00  0.473998D-01
      2  -0.413823D+01  0.869562D+00  0.307421D+00  0.473998D-01 -0.385411D+00
      3   0.617191D+00  0.307421D+00 -0.126735D+01 -0.279040D+00  0.703745D+00
               216           217           218           219           220 
      1  -0.279040D+00 -0.316541D+00 -0.417664D+01  0.870745D+00 -0.151446D+01
      2   0.703745D+00 -0.417664D+01 -0.842978D+00  0.121203D+01  0.353019D+01
      3   0.720366D-01  0.870745D+00  0.121203D+01  0.151181D+00  0.100322D+01
               221           222           223           224           225 
      1   0.353019D+01  0.100322D+01  0.907194D+00  0.101967D+01  0.257678D+01
      2   0.177179D+01  0.675992D+00  0.101967D+01  0.930816D+00  0.450342D+01
      3   0.675992D+00  0.616158D+01  0.257678D+01  0.450342D+01 -0.225986D+01
               226           227           228           229           230 
      1   0.559516D+00 -0.149303D+01  0.860830D-01 -0.504617D+00  0.811394D+00
      2  -0.149303D+01  0.214627D+01 -0.158821D-01  0.811394D+00 -0.982982D+01
      3   0.860830D-01 -0.158821D-01  0.159354D+00 -0.124272D+00  0.698386D+00
               231           232           233           234           235 
      1  -0.124272D+00 -0.548973D-02  0.564755D-01 -0.723109D-01 -0.674821D+01
      2   0.698386D+00  0.564755D-01  0.766911D+00 -0.178535D+00 -0.314458D+01
      3  -0.993780D+00 -0.723109D-01 -0.178535D+00  0.113863D+00  0.107548D+01
               236           237           238           239           240 
      1  -0.314458D+01  0.107548D+01 -0.488291D+01 -0.432607D+01  0.932777D+00
      2  -0.272396D+01  0.568359D+00 -0.432607D+01 -0.482942D+01  0.882577D+00
      3   0.568359D+00 -0.506878D+00  0.932777D+00  0.882577D+00 -0.844742D+00
               241           242           243           244           245 
      1   0.145192D+01  0.871793D+00  0.238699D+00 -0.108347D+01  0.254352D+01
      2   0.871793D+00  0.826978D+00 -0.235494D+00  0.254352D+01 -0.218152D+01
      3   0.238699D+00 -0.235494D+00  0.599720D-01 -0.231173D+00 -0.566353D-01
               246           247           248           249           250 
      1  -0.231173D+00  0.329052D+01 -0.367330D+01  0.174984D+00 -0.315671D+00
      2  -0.566353D-01 -0.367330D+01  0.855965D+01 -0.462564D+00  0.795194D-01
      3  -0.332681D+00  0.174984D+00 -0.462564D+00  0.103572D+01 -0.205633D+00
               251           252           253           254           255 
      1   0.795194D-01 -0.205633D+00  0.988313D+00  0.207659D+00  0.621947D+00
      2  -0.642493D+00  0.137427D+00  0.207659D+00  0.455250D+00 -0.110717D+00
      3   0.137427D+00 -0.579980D-01  0.621947D+00 -0.110717D+00  0.554715D+00
               256           257           258           259           260 
      1  -0.175874D+01 -0.170648D+01  0.132263D+01  0.430146D+01  0.134268D+01
      2  -0.170648D+01 -0.210417D+01  0.190776D+01  0.134268D+01  0.190687D+01
      3   0.132263D+01  0.190776D+01 -0.310915D+01 -0.357979D+01 -0.289702D+01
               261           262           263           264           265 
      1  -0.357979D+01 -0.696319D+00 -0.502196D+00 -0.135250D+01 -0.355193D+01
      2  -0.289702D+01 -0.502196D+00 -0.187316D+00 -0.525609D+00 -0.292143D+01
      3   0.654699D+01 -0.135250D+01 -0.525609D+00 -0.586013D-01 -0.169863D+01
               266           267           268           269           270 
      1  -0.292143D+01 -0.169863D+01 -0.537073D+01 -0.221177D+01 -0.274318D+01
      2  -0.345286D+01 -0.208895D+01 -0.221177D+01 -0.256890D+01 -0.260200D+01
      3  -0.208895D+01 -0.263405D+01 -0.274318D+01 -0.260200D+01 -0.344610D+01
               271           272           273           274           275 
      1  -0.141022D+02  0.274431D+01  0.977420D+00  0.662102D+01 -0.222205D+01
      2   0.274431D+01 -0.130086D+01 -0.307026D+00 -0.222205D+01  0.172247D+01
      3   0.977420D+00 -0.307026D+00 -0.119515D+01 -0.618985D+00  0.100545D+00
               276           277           278           279 
      1  -0.618985D+00  0.622800D+00 -0.275850D+00 -0.159322D+01
      2   0.100545D+00 -0.275850D+00 -0.515993D-01 -0.721317D-01
      3   0.482063D+00 -0.159322D+01 -0.721317D-01  0.461593D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.246646D+01  0.414533D+01 -0.297311D+00  0.554407D+01  0.574257D+01
      2   0.162267D+02  0.633573D+01 -0.100447D+01 -0.146266D+02  0.516973D+00
      3  -0.318040D+01  0.403012D+02 -0.343465D+01  0.344941D+02  0.254347D+02
                 6             7             8             9            10 
      1  -0.122394D+01  0.363604D+01  0.664793D+01 -0.782707D+00  0.231584D+01
      2   0.785801D+00 -0.196755D+02 -0.287144D+01  0.247523D+01 -0.195809D+02
      3  -0.488795D+01 -0.314371D+01 -0.847296D+01 -0.756519D-01  0.181315D+01
                11            12            13            14            15 
      1   0.676581D+01 -0.948386D+00  0.729119D+01  0.870837D+00  0.164593D+00
      2   0.395632D+00 -0.365459D+01  0.212604D+02  0.363554D+01 -0.233836D+01
      3   0.471667D+02 -0.431072D+01  0.671392D+02  0.223142D+02 -0.880579D+01
                16            17            18            19            20 
      1   0.285353D+01  0.610349D+01 -0.137306D+01  0.317016D+01 -0.318189D+00
      2  -0.231521D+02 -0.196439D+01  0.284491D+01 -0.246473D+02 -0.802807D+01
      3  -0.574728D+01 -0.889453D+01  0.249180D+01  0.117094D+02 -0.306063D+02
                21            22            23            24            25 
      1  -0.466368D+00 -0.820469D+00  0.390282D+01 -0.251312D+01  0.604740D+01
      2   0.510393D+00 -0.138615D+02 -0.161528D+01 -0.141189D+01 -0.166245D+02
      3   0.119380D+01  0.184943D+01  0.327657D+01 -0.254443D+00  0.414642D+01
                26            27            28            29            30 
      1   0.151299D+01  0.258060D+01  0.387509D+01  0.870496D+00 -0.229157D+00
      2  -0.660792D+01  0.210155D+01  0.342657D+02  0.378263D+01  0.665721D+00
      3   0.462685D+01  0.240527D+01  0.134945D+02  0.926247D+01 -0.695853D+00
                31            32            33            34            35 
      1   0.628191D+01 -0.617888D+01  0.312312D+01 -0.210864D+01  0.156128D+02
      2   0.418358D+01  0.462653D-01  0.271347D+00 -0.163046D+02 -0.143403D+01
      3   0.320395D+02  0.211355D+00  0.326297D+01 -0.374259D+01 -0.112072D+01
                36            37            38            39            40 
      1  -0.261048D+01  0.223520D+01 -0.551442D+01 -0.473896D+01 -0.327011D+01
      2   0.122482D+01  0.176682D+01  0.453889D+00  0.274574D+01  0.526173D+01
      3  -0.817615D-01  0.303723D+02  0.185767D+00 -0.528400D+00 -0.415122D+01
                41            42            43            44            45 
      1   0.579312D+01 -0.120982D+01 -0.164939D+02  0.762301D+01  0.104418D+01
      2   0.242106D+01  0.799734D+00 -0.844340D+01  0.757595D+01  0.628694D+00
      3   0.593837D+01 -0.236421D+01 -0.787569D+00 -0.233981D+01  0.686421D+01
                46            47            48            49            50 
      1  -0.556374D+01  0.435598D+00  0.493291D+01 -0.260213D+01 -0.425291D+01
      2  -0.713591D+01 -0.902793D+00  0.986328D+00 -0.117386D+01 -0.957875D+00
      3  -0.526545D+02 -0.309946D+02  0.624263D+01 -0.109400D+02 -0.244371D+02
                51            52            53            54            55 
      1  -0.296944D+01  0.834206D+01 -0.477266D+01 -0.259143D+01 -0.145521D+01
      2   0.986800D+00 -0.169713D+02  0.159712D+01  0.330121D+00 -0.745115D+01
      3   0.349631D+01  0.864941D+01  0.598513D+01 -0.689224D+01 -0.305134D+02
                56            57            58            59            60 
      1  -0.565288D+01  0.552718D+01  0.119317D+01 -0.327858D+01 -0.239469D+01
      2  -0.398252D+01 -0.538924D+01 -0.430485D+01 -0.349040D+01  0.355598D+01
      3  -0.342157D+02  0.491452D+01 -0.291864D+01 -0.275390D+02  0.165226D+01
                61            62            63            64            65 
      1   0.531139D+01 -0.214030D+01 -0.696467D+00  0.414101D+00  0.728840D+00
      2  -0.222978D+02  0.563502D+01  0.101877D+01 -0.641334D+00 -0.368045D+00
      3   0.453119D+01  0.581696D+01 -0.110837D+02 -0.112435D+01  0.143901D+01
                66            67            68            69            70 
      1   0.581921D+00 -0.395867D+00  0.171705D+01 -0.364104D+01  0.274544D+00
      2  -0.227098D+00 -0.782604D+00  0.811796D+00 -0.123094D+01 -0.252500D+01
      3   0.136863D+00  0.619647D+01  0.420917D+01 -0.605624D+00  0.686816D-01
                71            72            73            74            75 
      1   0.218665D+01 -0.155291D+00 -0.163386D+00 -0.133225D+01 -0.254645D+01
      2   0.117925D+01  0.281603D-01  0.369357D+01  0.119853D+01  0.181063D+01
      3  -0.452180D+00 -0.763167D+00  0.963157D+01 -0.309335D+00 -0.769015D+00
                76            77            78            79            80 
      1  -0.146904D+01 -0.207543D+01 -0.287899D+01  0.304349D+01  0.140700D+01
      2   0.184693D+01  0.145913D+01  0.236449D+01 -0.345088D+01  0.323300D-01
      3   0.202996D+01 -0.144328D+01 -0.140161D+00 -0.180189D+01  0.219082D+00
                81            82            83            84            85 
      1  -0.165793D+00 -0.120340D+01  0.150458D+01  0.133916D+01  0.364865D+00
      2  -0.630723D+00 -0.873836D+00  0.832210D+00  0.631086D+00  0.736032D+00
      3  -0.115045D+01 -0.544551D+01  0.230251D+01  0.100340D+00  0.562881D+01
                86            87            88            89            90 
      1  -0.418108D+01 -0.486459D+01 -0.123853D+01  0.272250D+01  0.353983D+00
      2  -0.130854D+01 -0.847729D+00 -0.575997D+00 -0.872507D+00  0.243167D+00
      3  -0.382413D+01  0.714471D+00  0.568743D+00  0.481295D+00  0.943090D+00
                91            92            93            94            95 
      1  -0.129618D+01  0.109649D+01 -0.216120D+00 -0.248557D+01  0.261923D+00
      2  -0.245555D+02 -0.201326D+01 -0.920318D+01  0.170952D+01  0.793238D+01
      3  -0.360705D+00 -0.284222D+01 -0.124111D+01  0.163013D+02 -0.520674D+01
                96            97            98            99           100 
      1  -0.284050D+01 -0.228249D+01  0.345910D+01  0.368283D+01  0.666859D+00
      2  -0.797144D+00 -0.409164D+02 -0.601553D+01 -0.489808D+01 -0.237182D+01
      3  -0.119376D+02 -0.189725D+01 -0.121726D+02  0.612544D+01  0.111264D+02
               101           102           103           104           105 
      1  -0.319010D+01  0.411716D+01 -0.105324D+01 -0.435433D+01  0.588921D+01
      2   0.441358D+01  0.169224D+02  0.108314D+01 -0.852751D+01  0.469896D+01
      3  -0.167537D+02 -0.647942D+01 -0.103650D+02 -0.506930D+00  0.138141D+02
               106           107           108           109           110 
      1   0.312541D+00  0.102995D+02  0.169170D+01 -0.576285D+01 -0.172719D+01
      2   0.857771D+01  0.966632D+01  0.145768D+02  0.225006D+02  0.257592D+01
      3  -0.485996D+01  0.937913D+01 -0.153403D+02  0.167457D+01  0.158152D+02
               111           112           113           114           115 
      1   0.458198D+01 -0.123437D+02 -0.368021D+01 -0.175785D+02  0.399397D+01
      2  -0.190773D+00 -0.558995D+00  0.760731D-01 -0.377318D+01  0.258401D+02
      3   0.338945D+00  0.129515D+02  0.864295D+01  0.333904D+01  0.329100D+00
               116           117           118           119           120 
      1  -0.507613D+01  0.163747D+01 -0.578237D+00 -0.133608D+01  0.395742D+00
      2  -0.684538D+00 -0.578002D+00 -0.329322D+01 -0.772370D+00  0.635936D+01
      3   0.468351D+01 -0.990943D+00 -0.737714D+01 -0.619618D+01  0.212718D+01
               121           122           123           124           125 
      1   0.925527D-01 -0.232701D+01  0.305156D+00  0.217179D+00  0.291527D+01
      2   0.871683D+00 -0.516962D+01  0.587383D+01  0.577977D+01  0.464881D+01
      3  -0.136965D+01 -0.896023D+01  0.693423D+01  0.176445D+01  0.873488D+01
               126           127           128           129           130 
      1  -0.882697D+00 -0.915130D+00  0.154044D+01 -0.299835D+01  0.284466D+00
      2  -0.916268D+01 -0.734650D+01 -0.317758D+01 -0.981483D+01 -0.577154D-03
      3  -0.613638D+01  0.372109D+01  0.512591D+01  0.625277D+01  0.320244D+01
               131           132           133           134           135 
      1   0.101187D+00 -0.246422D+01 -0.167902D+01  0.146265D+01 -0.774143D+01
      2  -0.365109D+01 -0.485450D+01 -0.627521D+01 -0.833802D+01 -0.255308D+02
      3   0.427903D+01  0.425264D+01  0.304901D+01  0.679345D+01  0.127084D+02
               136           137           138           139           140 
      1   0.169152D+01  0.148083D+01 -0.227510D+01  0.396473D+00  0.798805D+01
      2   0.186024D+01 -0.554138D+00 -0.210456D+01 -0.642278D+00  0.532004D+01
      3   0.514502D+01  0.499560D+01 -0.161653D+01  0.355035D+01  0.177803D+02
               141           142           143           144           145 
      1  -0.729502D+01 -0.399977D+00 -0.501043D+01  0.670881D+01  0.250437D+00
      2  -0.549379D+01 -0.169096D+01 -0.518704D+01  0.548724D+01  0.673072D+01
      3  -0.683078D+01 -0.207739D+01 -0.119454D+02  0.789652D+01 -0.652489D+01
               146           147           148           149           150 
      1  -0.190555D+01  0.202374D+01 -0.109341D+01  0.710097D+00 -0.137024D+01
      2  -0.169958D+00  0.635019D+01 -0.127569D+01  0.184467D+01 -0.296280D+00
      3  -0.663936D+01 -0.328183D+00 -0.979726D+00  0.897347D+00 -0.148728D+01
               151           152           153           154           155 
      1   0.106452D+01 -0.393676D+00 -0.405206D+00  0.420030D+01  0.176048D+01
      2   0.225007D+01 -0.144988D+01 -0.251764D+01 -0.102808D+02  0.151218D+00
      3   0.128165D+01 -0.121409D+01  0.606387D+00 -0.711120D+01 -0.257752D+02
               156           157           158           159           160 
      1  -0.422827D+01  0.935918D+01  0.258881D+01  0.108940D+01 -0.183204D+01
      2   0.252029D+02  0.241305D+01 -0.120869D+01  0.450797D+01  0.693326D+01
      3  -0.143930D+01 -0.167767D+02 -0.112969D+02 -0.205096D+01 -0.540901D+00
               161           162           163           164           165 
      1   0.310719D+01 -0.177487D+00  0.623351D+01  0.167868D+01  0.101552D+01
      2   0.294487D+01  0.249642D+01 -0.985071D+01 -0.299079D+01  0.161525D+01
      3  -0.263561D+01 -0.184012D+01 -0.367855D+01 -0.335834D+01  0.524330D+00
               166           167           168           169           170 
      1   0.423332D+01 -0.438698D+00  0.486755D+01  0.164561D+01  0.831487D+01
      2  -0.305246D+01  0.665123D+01  0.440904D+00 -0.125814D+02  0.532254D+00
      3   0.231876D+01  0.647074D+00 -0.610653D+01  0.151520D+01 -0.285347D+01
               171           172           173           174           175 
      1  -0.134907D+01 -0.599482D+01 -0.173110D+01 -0.208233D+01 -0.557660D+01
      2   0.229510D+02  0.221477D+02  0.153910D+01 -0.637654D+01  0.358326D+01
      3   0.603194D+00  0.263817D+01  0.186330D+01  0.638473D-01  0.495071D+01
               176           177           178           179           180 
      1   0.178771D+00 -0.277296D+01 -0.199391D+01 -0.106302D+01 -0.672475D+00
      2   0.215959D+01 -0.960084D+00 -0.738232D+00  0.563704D+00  0.152085D+01
      3  -0.126392D+00 -0.108723D+01  0.402368D+00  0.106645D+01  0.134321D+00
               181           182           183           184           185 
      1  -0.279124D+00  0.408713D+01 -0.601869D+01 -0.312771D+01  0.429294D+00
      2   0.784682D+00  0.220451D+01  0.796498D+01 -0.632421D+01  0.263562D+01
      3   0.176672D+02  0.637792D+01 -0.261620D+01 -0.179788D+02  0.879887D+01
               186           187           188           189           190 
      1  -0.939964D+00 -0.119278D+02  0.561214D+01  0.229867D+01  0.261168D+01
      2   0.365215D+01 -0.393393D+01  0.115299D+02 -0.351529D+01 -0.111912D+02
      3   0.364302D+00  0.167657D+01 -0.373039D+01 -0.526108D-01  0.105579D+02
               191           192           193           194           195 
      1   0.749006D+01  0.718249D+00  0.716992D+01  0.617844D+01  0.215907D+01
      2  -0.429308D+00  0.104262D+01  0.310567D+01 -0.233016D+01 -0.657012D+00
      3   0.223071D+02 -0.366710D+01  0.490412D+02  0.824083D+01 -0.604474D+01
               196           197           198           199           200 
      1  -0.219955D+01  0.126039D+02 -0.168685D+01 -0.141137D+00 -0.652173D+01
      2   0.219643D+01 -0.465104D+01 -0.201441D+01  0.152624D+02 -0.997172D+00
      3  -0.663956D+01 -0.487705D+01  0.361149D+00  0.123774D+02 -0.377676D+02
               201           202           203           204           205 
      1   0.262045D+00 -0.108727D+01 -0.362268D+01 -0.255368D+01  0.759700D+01
      2   0.220059D+01  0.303245D+01 -0.195757D+01 -0.441475D+01 -0.206356D+02
      3   0.335693D+01 -0.304095D+01 -0.140404D+02  0.345470D+01  0.743795D+00
               206           207           208           209           210 
      1   0.291441D+01 -0.119388D+01 -0.280758D+01 -0.719169D+01 -0.132857D+01
      2  -0.164965D+02  0.466306D+01  0.147449D+01 -0.194674D+01  0.148684D+02
      3   0.842160D+01  0.719741D+01 -0.961485D+01 -0.447922D+02  0.449256D+01
               211           212           213           214           215 
      1  -0.320589D+00  0.315345D+00 -0.523565D+01 -0.197950D+01 -0.118393D+01
      2  -0.147020D+01  0.333164D+00  0.623655D+01 -0.531100D+01 -0.111409D+01
      3  -0.603585D+01  0.109702D+02 -0.544393D+00  0.304559D+01  0.488928D+01
               216           217           218           219           220 
      1   0.126180D+01 -0.639148D+00  0.290315D+01  0.132571D+01  0.492905D+01
      2  -0.153972D+01 -0.621615D+01 -0.402323D+01 -0.190623D+01 -0.394994D+01
      3   0.201836D+01 -0.299988D+02  0.134264D+02  0.607492D+01  0.328428D+02
               221           222           223           224           225 
      1   0.393696D+01  0.512618D+01  0.130927D+02  0.694118D+01 -0.516023D+00
      2  -0.375612D+01 -0.398018D+02 -0.202974D+02 -0.300444D+02  0.142586D+02
      3   0.255642D+02  0.926550D+00  0.477855D+01  0.146872D+01  0.302170D+02
               226           227           228           229           230 
      1  -0.328610D+00  0.429397D+00  0.127783D+01 -0.195284D+00  0.344851D+00
      2  -0.600159D+00  0.688772D-01  0.285849D+00  0.552534D+00 -0.192792D+01
      3  -0.740171D+01  0.510393D+01  0.241086D+00  0.564162D+01 -0.198589D+02
               231           232           233           234           235 
      1  -0.475760D+01 -0.342454D+00  0.276719D+01  0.234013D+00  0.167145D+01
      2   0.799814D+00 -0.161964D+00 -0.193544D+00 -0.622861D-01 -0.181135D+01
      3   0.167888D+01  0.391666D+00  0.116279D+01  0.329751D+00  0.527170D+01
               236           237           238           239           240 
      1   0.113593D+00 -0.208678D+01  0.649434D+00 -0.159540D+00 -0.292730D+01
      2  -0.140053D+01  0.215537D+01 -0.203864D+01 -0.226867D+01  0.387518D+01
      3  -0.531660D+01 -0.143594D+00 -0.484595D+01 -0.118764D+02  0.154975D+01
               241           242           243           244           245 
      1   0.236815D+01  0.116793D+01  0.422162D-01 -0.205253D+00  0.555989D+00
      2  -0.285455D+01  0.329553D+00 -0.284258D+00  0.395735D-01  0.610141D+00
      3  -0.293106D+00  0.161094D+01 -0.128269D+01  0.388867D+01 -0.408129D+01
               246           247           248           249           250 
      1   0.126859D+01  0.428749D+00 -0.514458D+00 -0.418103D+01 -0.217585D+00
      2   0.144762D+01  0.298380D+00  0.577107D+00 -0.356552D+01 -0.213097D+01
      3  -0.271350D+00 -0.182216D+01  0.201353D+02 -0.129317D+01 -0.520968D-01
               251           252           253           254           255 
      1   0.183483D+01  0.624736D-01 -0.109501D+01  0.290383D+00  0.114256D+01
      2   0.208283D+00  0.259954D+00 -0.558321D+01  0.929387D+00 -0.285084D+01
      3  -0.188994D+01 -0.624994D-01 -0.930027D+00  0.111574D+01 -0.115024D+01
               256           257           258           259           260 
      1  -0.481117D-01 -0.115183D+01 -0.222410D+01 -0.238310D+01  0.224173D+01
      2  -0.538416D+01 -0.105668D+02  0.181525D+02  0.149545D+02  0.175057D+02
      3  -0.911756D+01 -0.172312D+02  0.121571D+02  0.654891D+01  0.146307D+02
               261           262           263           264           265 
      1   0.377900D+01 -0.147112D+00 -0.357083D+00 -0.109206D+00 -0.302561D+01
      2  -0.369544D+02  0.873223D+01  0.302640D+01  0.135415D+01  0.854303D+01
      3  -0.188565D+02 -0.476938D+01 -0.317201D+01 -0.243670D+01 -0.151238D+02
               266           267           268           269           270 
      1  -0.295869D+01 -0.452724D+01 -0.435109D+01 -0.112768D+01 -0.519293D+01
      2   0.119994D+02  0.167006D+02  0.136692D+02  0.162442D+02  0.208189D+02
      3  -0.255795D+02 -0.119378D+02 -0.100093D+02 -0.175021D+02 -0.158655D+02
               271           272           273           274           275 
      1   0.170625D+01 -0.109902D+01  0.597556D-01 -0.131283D+01  0.788948D+00
      2  -0.452510D-01  0.563992D+00  0.911889D+01  0.965080D+00  0.316224D+00
      3   0.224992D+02 -0.129151D+02 -0.225574D+01 -0.148553D+02  0.116846D+02
               276           277           278           279 
      1  -0.876769D+00 -0.127342D+01  0.256613D+00  0.138907D+00
      2  -0.325964D+01  0.749088D+01  0.633672D+00 -0.225012D+01
      3   0.791584D+00 -0.189867D+01  0.130090D+00 -0.427859D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.947094D+02 -0.453973D+02  0.114647D+02  0.911789D+02 -0.616383D+01
      2   0.519586D+02  0.260355D+02 -0.768711D+01 -0.456077D+02  0.905559D+01
      3   0.427508D+02  0.193619D+02 -0.377762D+01 -0.455712D+02 -0.289176D+01
      4  -0.421853D+02  0.648137D+00  0.262177D+01 -0.403425D+01  0.751058D+01
      5   0.153644D+02  0.229837D+01 -0.202169D+01  0.108041D+01  0.171634D+01
      6   0.113993D+01 -0.390386D+01  0.603010D+00  0.317108D+01  0.205069D+01
                 6             7             8             9            10 
      1  -0.913957D+01  0.318747D+01  0.467051D+01 -0.105231D+02  0.877439D+02
      2   0.356179D+01 -0.318555D+01 -0.386838D+01 -0.438745D+00 -0.365308D+02
      3   0.557778D+01 -0.192017D-02 -0.802127D+00  0.109618D+02 -0.512131D+02
      4  -0.193435D+00  0.479114D+01  0.991910D-01 -0.463599D+00  0.115997D+02
      5  -0.955507D+00 -0.989108D+00  0.135340D+01  0.297489D+01 -0.133887D+02
      6  -0.614115D+00 -0.308982D+01  0.369277D+01  0.201902D+01  0.186658D+00
                11            12            13            14            15 
      1  -0.455312D+01 -0.962516D+01 -0.106426D+03 -0.270979D+02  0.114918D+02
      2   0.303171D+01  0.250842D+01  0.491895D+02  0.233462D+02 -0.789634D+01
      3   0.152140D+01  0.711674D+01  0.572363D+02  0.375166D+01 -0.359550D+01
      4  -0.997525D+00 -0.208823D+01 -0.191617D+02 -0.162399D+02  0.245069D+01
      5  -0.914609D+00 -0.782121D+01  0.103105D+01 -0.293903D+00  0.797630D+00
      6   0.234398D+00 -0.118712D-01 -0.101277D+01 -0.533207D+01 -0.909760D+00
                16            17            18            19            20 
      1  -0.494880D+00  0.209228D+01 -0.929536D+01  0.571779D+02  0.515852D+02
      2  -0.200530D+01 -0.144541D+01 -0.481286D+00 -0.316317D+02 -0.346690D+02
      3   0.250018D+01 -0.646867D+00  0.977665D+01 -0.255463D+02 -0.169162D+02
      4   0.391472D+00  0.248426D+01 -0.269964D+01  0.393235D+02 -0.419538D+01
      5   0.441453D+00 -0.236761D+01  0.383634D+01 -0.133273D+02 -0.441878D+01
      6  -0.207785D+01  0.472101D+01  0.534861D+00 -0.108486D+01  0.965363D+01
                21            22            23            24            25 
      1  -0.153701D+02 -0.142256D+02  0.228912D+02 -0.820914D+01 -0.693039D+01
      2   0.857546D+01  0.193180D+02 -0.267670D+02  0.450237D+01 -0.130374D+01
      3   0.679461D+01 -0.509239D+01  0.387572D+01  0.370677D+01  0.823413D+01
      4  -0.355635D+01  0.167614D+02  0.153670D+01 -0.144232D+01 -0.109712D+02
      5  -0.210111D+01 -0.644723D+01 -0.164933D+01 -0.564821D+01  0.925846D+01
      6  -0.135418D+01 -0.340715D+01  0.768390D+01  0.452594D+01  0.379406D+00
                26            27            28            29            30 
      1  -0.167191D+02 -0.565998D+01  0.220636D+02 -0.316204D+01  0.108465D+02
      2   0.952373D+01 -0.508114D+01 -0.283100D+02  0.523410D+01 -0.466130D+01
      3   0.719535D+01  0.107411D+02  0.624633D+01 -0.207206D+01 -0.618522D+01
      4  -0.143757D+01 -0.358729D+01 -0.109586D+02  0.868986D+01 -0.162755D+01
      5  -0.811802D+01  0.427753D+01  0.130259D+02 -0.173647D+01  0.691925D+01
      6   0.854978D+01  0.377724D+01  0.395758D+01 -0.456354D+01  0.165691D+01
                31            32            33            34            35 
      1  -0.316047D+02 -0.655249D+02  0.910716D+01  0.155151D+02  0.104217D+02
      2   0.249110D+02  0.553378D+02 -0.103182D+02 -0.118734D+01 -0.762794D+01
      3   0.669371D+01  0.101871D+02  0.121102D+01 -0.143278D+02 -0.279377D+01
      4  -0.359823D+02  0.363675D+01 -0.174091D+01  0.808702D+01 -0.306357D+01
      5   0.958165D+01  0.124472D+01  0.490097D+00  0.245271D+02  0.425422D+01
      6   0.687452D+00 -0.153469D+02 -0.529971D+00 -0.230930D+00  0.591438D+01
                36            37            38            39            40 
      1  -0.744593D+01 -0.110405D+02 -0.659766D+02  0.107110D+02  0.278912D+02
      2  -0.664335D+01  0.558576D+01  0.503340D+02 -0.352183D+01 -0.281644D+02
      3   0.140893D+02  0.545474D+01  0.156427D+02 -0.718920D+01  0.273123D+00
      4  -0.813775D+00 -0.876692D+01 -0.856937D+01  0.510303D+01  0.115689D+02
      5  -0.157539D+01 -0.242265D+01  0.891073D+01  0.471347D+01  0.275697D+01
      6   0.580901D+00  0.507193D+01 -0.914430D+01  0.109340D+02  0.483220D+01
                41            42            43            44            45 
      1   0.402971D+02 -0.512208D+01  0.545465D+01  0.769579D+01 -0.165842D+02
      2  -0.351254D+02  0.603968D+01  0.722827D+01 -0.193611D+00  0.350091D+00
      3  -0.517164D+01 -0.917599D+00 -0.126829D+02 -0.750218D+01  0.162341D+02
      4  -0.157150D+02  0.354181D+01  0.949785D+01  0.537467D+01  0.780164D+01
      5   0.919447D+00  0.461084D+01  0.158652D+02  0.490517D+01 -0.605175D+01
      6   0.120345D+02 -0.140914D+01  0.178236D+02  0.105075D+02 -0.775425D+01
                46            47            48            49            50 
      1   0.179408D+02  0.481586D+02 -0.129361D+02 -0.167463D+02  0.125064D+01
      2  -0.134920D+02 -0.343853D+02  0.464909D+01  0.135608D+02 -0.118684D+02
      3  -0.444881D+01 -0.137733D+02  0.828704D+01  0.318550D+01  0.106177D+02
      4  -0.743491D-01 -0.684586D+01  0.287740D+00  0.445882D+01  0.134723D+02
      5   0.110223D+02 -0.140544D+01 -0.127481D+01  0.263200D+01 -0.140020D+01
      6  -0.846925D+00  0.127699D+02 -0.106208D+02 -0.296101D+01  0.455101D+01
                51            52            53            54            55 
      1  -0.341138D+00 -0.281802D+01 -0.615174D+01 -0.231769D+02  0.199673D+02
      2   0.400896D+01  0.340033D+00  0.142433D+02  0.108741D+02 -0.172756D+02
      3  -0.366782D+01  0.247799D+01 -0.809158D+01  0.123028D+02 -0.269168D+01
      4  -0.199417D+01 -0.628309D+00  0.192912D+01 -0.374209D+01  0.294632D+02
      5  -0.288556D+00  0.361168D+01 -0.147927D+00  0.406915D+01 -0.123274D+02
      6   0.744947D+01 -0.428356D+01  0.225808D+02 -0.529274D+01 -0.241527D+01
                56            57            58            59            60 
      1   0.524221D+02 -0.107604D+02  0.500991D+01  0.249652D+02 -0.456061D+01
      2  -0.322144D+02  0.449116D+01  0.697357D+00 -0.248616D+02  0.408948D+01
      3  -0.202077D+02  0.626927D+01 -0.570727D+01 -0.103625D+00  0.471138D+00
      4  -0.361226D+02 -0.227027D+00  0.310001D+02  0.167621D+02 -0.166710D+01
      5  -0.100117D+01 -0.109076D+02 -0.477835D+01 -0.466353D+00  0.492035D+01
      6   0.406863D+01 -0.905844D+01 -0.132983D+01  0.512068D+01  0.693144D+01
                61            62            63            64            65 
      1  -0.448901D+01 -0.985065D+01 -0.197510D+02  0.220838D+01 -0.279917D+00
      2   0.303025D+01  0.102191D+02  0.723511D+01  0.989929D+00 -0.110638D+01
      3   0.145876D+01 -0.368459D+00  0.125159D+02 -0.319831D+01  0.138629D+01
      4  -0.474840D+01  0.809657D+01  0.126221D+02 -0.714044D+01  0.897308D+01
      5   0.291427D+01  0.145377D+02  0.139735D+01 -0.296624D+01  0.147943D+01
      6   0.841775D+00  0.207547D+02  0.249185D+00  0.189096D+01 -0.156365D+01
                66            67            68            69            70 
      1  -0.849568D+00  0.372027D+01 -0.221399D+02 -0.916338D-01 -0.301693D+01
      2   0.384290D+00 -0.723316D+01  0.278931D+02  0.136329D-03  0.219308D+01
      3   0.465278D+00  0.351289D+01 -0.575318D+01  0.914975D-01  0.823853D+00
      4   0.616915D+00  0.127342D+02 -0.179220D+02 -0.297535D+00  0.553721D+00
      5   0.837344D+00  0.154729D+01 -0.318268D+00 -0.231097D+01  0.348848D+00
      6  -0.539916D+00 -0.231200D+01  0.421399D+01  0.516758D+01 -0.198289D+01
                71            72            73            74            75 
      1   0.242990D+01 -0.289036D+01  0.481560D+01 -0.426528D+01  0.158881D+01
      2  -0.217745D+01  0.289393D+01  0.456358D+01  0.113833D+02 -0.122326D+01
      3  -0.252448D+00 -0.357615D-02 -0.937918D+01 -0.711799D+01 -0.365549D+00
      4   0.754168D+00 -0.720136D+00  0.278483D+02  0.238972D+02 -0.543540D+01
      5   0.135102D+00  0.131226D-01 -0.889871D+01 -0.557312D+01  0.573712D+01
      6   0.207205D+01 -0.521474D+00 -0.748662D+01 -0.713472D+01  0.505438D+01
                76            77            78            79            80 
      1  -0.736395D+01 -0.153903D+02  0.428303D+01 -0.664894D+00  0.235540D+01
      2   0.159647D+02  0.256640D+02 -0.377921D+01 -0.240425D+01 -0.314064D+01
      3  -0.860079D+01 -0.102737D+02 -0.503821D+00  0.306914D+01  0.785242D+00
      4   0.269812D+02  0.307131D+02 -0.595164D+01 -0.654116D+01 -0.548013D+01
      5  -0.603917D+01 -0.626212D+01  0.499763D+01  0.183737D+01  0.352063D+01
      6  -0.866350D+01 -0.107742D+02  0.763281D+01  0.694698D+00  0.458560D+01
                81            82            83            84            85 
      1  -0.893492D+00 -0.538340D+01  0.995959D+01 -0.391985D+00  0.623883D+01
      2   0.142279D+01  0.800016D+01 -0.140910D+02  0.433840D+00 -0.762985D+01
      3  -0.529300D+00 -0.261676D+01  0.413143D+01 -0.418555D-01  0.139103D+01
      4   0.376353D+01 -0.526035D+01  0.134471D+02 -0.122318D+01  0.823531D+01
      5  -0.191709D+01  0.165031D+01 -0.258569D+01  0.213545D+01 -0.165569D+01
      6  -0.240190D+01 -0.169696D+01  0.203116D+01 -0.213382D+01  0.206032D+01
                86            87            88            89            90 
      1  -0.547674D+02  0.630609D+01 -0.264308D+00  0.437426D+01 -0.235265D+01
      2   0.727035D+02 -0.581113D+01  0.731094D+00 -0.532433D+01  0.248070D+01
      3  -0.179361D+02 -0.494959D+00 -0.466787D+00  0.950064D+00 -0.128053D+00
      4  -0.151169D+02  0.169750D+01 -0.943929D+00 -0.405763D+00 -0.141025D+01
      5   0.478368D+01 -0.169558D+01  0.103528D+01 -0.166005D+01  0.171619D+00
      6  -0.141170D+02  0.992093D+01  0.652746D+00  0.444663D+01 -0.150748D+01
                91            92            93            94            95 
      1  -0.425802D+02 -0.186636D+02 -0.120226D+02 -0.783752D+01 -0.800111D+00
      2   0.351284D+02  0.155722D+02  0.573123D+01  0.931945D+01  0.843071D+00
      3   0.745174D+01  0.309138D+01  0.629139D+01 -0.148193D+01 -0.429604D-01
      4  -0.118045D+02 -0.994287D+01  0.259793D+01 -0.202198D+02  0.856703D+01
      5  -0.150558D+02  0.236420D+01 -0.222064D+02  0.906176D+01  0.247156D+02
      6   0.732265D+00  0.505768D+01  0.425159D+00  0.638998D+01 -0.307387D+01
                96            97            98            99           100 
      1   0.977162D+01 -0.313817D+02 -0.107191D+01 -0.194898D+02 -0.577102D+02
      2  -0.103033D+02  0.232659D+02 -0.426000D+01  0.121597D+02  0.314092D+02
      3   0.531703D+00  0.811580D+01  0.533191D+01  0.733009D+01  0.263010D+02
      4   0.246982D+02  0.245184D+01  0.213934D+02 -0.102205D+02  0.286243D+02
      5  -0.243825D+01 -0.420165D+02 -0.121883D+02  0.215681D+01  0.296139D+02
      6  -0.949889D+01 -0.606600D+01 -0.186951D+01  0.702816D+01 -0.625033D+01
               101           102           103           104           105 
      1   0.267135D+02  0.275323D+02  0.646223D+01  0.524245D+01 -0.492159D+01
      2  -0.190591D+02 -0.596810D+01 -0.832629D+01 -0.508809D+01  0.192545D+02
      3  -0.765445D+01 -0.215642D+02  0.186406D+01 -0.154367D+00 -0.143329D+02
      4   0.103073D+02 -0.111016D+01  0.148067D+02 -0.122650D+02 -0.247439D+02
      5  -0.589109D+00  0.208492D+02  0.121299D+01 -0.260561D+02  0.592801D+01
      6  -0.393377D+01 -0.126966D+02 -0.673803D+01  0.129506D+02 -0.104379D+01
               106           107           108           109           110 
      1   0.199006D+02  0.144415D+01  0.370634D+02 -0.994899D+02 -0.145587D+02
      2  -0.828163D+01  0.148768D+02 -0.146913D+02  0.396392D+02  0.131144D+01
      3  -0.116190D+02 -0.163209D+02 -0.223720D+02  0.598507D+02  0.132472D+02
      4   0.182467D+01 -0.169962D+02  0.943133D+01 -0.270000D+02 -0.229333D+02
      5   0.137041D+02  0.152028D+02  0.137749D+02 -0.199663D+02 -0.772954D+01
      6  -0.734898D+01 -0.704280D+01 -0.155702D+02 -0.252116D+01 -0.212269D+01
               111           112           113           114           115 
      1  -0.130844D+02 -0.141031D+02 -0.789697D+01 -0.613604D+01  0.456623D+02
      2   0.379419D+01  0.270923D+01  0.696087D+01  0.163591D+01 -0.366200D+02
      3   0.929021D+01  0.113939D+02  0.936092D+00  0.450013D+01 -0.904225D+01
      4  -0.610611D+01  0.106964D+02 -0.893907D+01 -0.330320D+01 -0.341113D+01
      5  -0.142099D+02 -0.619734D+01 -0.390964D+01 -0.277726D+01  0.431685D+02
      6  -0.272390D+01 -0.444885D+01  0.233961D+00  0.374350D+01  0.860471D+01
               116           117           118           119           120 
      1   0.106153D+01  0.335457D+02  0.175273D+02  0.929627D+01 -0.641033D+01
      2  -0.274029D+01 -0.117246D+02 -0.127381D+02 -0.674989D+01  0.569620D+01
      3   0.167876D+01 -0.218211D+02 -0.478929D+01 -0.254639D+01  0.714130D+00
      4  -0.120418D+01  0.419563D+01  0.152362D+02  0.126354D+02 -0.561059D+01
      5   0.528594D+01  0.283263D+01 -0.166281D+02 -0.660759D+01  0.177437D+02
      6  -0.296236D+01 -0.450432D+00 -0.550813D+01 -0.325609D+01  0.308710D+01
               121           122           123           124           125 
      1   0.199593D+02  0.201926D+01 -0.131292D+01 -0.869398D+01 -0.545003D+00
      2  -0.129892D+02 -0.847646D+00  0.358171D+01  0.890183D+01  0.437966D+01
      3  -0.697003D+01 -0.117161D+01 -0.226879D+01 -0.207855D+00 -0.383466D+01
      4   0.150113D+02  0.194217D+02 -0.153947D+02 -0.710134D+01 -0.164922D+02
      5  -0.130863D+02 -0.159796D+02  0.146333D+02  0.240613D+02  0.127427D+02
      6  -0.491119D+01 -0.890840D+01  0.897668D+01  0.501190D+01  0.789258D+01
               126           127           128           129           130 
      1   0.171908D+01 -0.567276D+01 -0.100409D+02 -0.206738D+02 -0.105913D+01
      2  -0.104047D+02  0.382360D+00  0.629479D+01  0.376602D+01  0.228177D+00
      3   0.868564D+01  0.529039D+01  0.374612D+01  0.169077D+02  0.830956D+00
      4   0.124613D+02  0.770565D+00 -0.555414D+01 -0.153616D+01  0.768272D+00
      5  -0.276409D+02 -0.392396D+01 -0.412202D+01 -0.103624D+02  0.101046D+01
      6  -0.801949D+01  0.327005D+01  0.635641D+01  0.113091D+02  0.121012D+01
               131           132           133           134           135 
      1  -0.998450D+01 -0.837655D+01 -0.123568D+02 -0.127204D+02 -0.386116D+02
      2   0.616801D+01  0.313332D+01  0.466618D+01  0.394077D+01 -0.190225D+01
      3   0.381649D+01  0.524322D+01  0.769059D+01  0.877958D+01  0.405139D+02
      4  -0.484253D+01 -0.399983D+01  0.752879D+01 -0.112333D+02 -0.118175D+02
      5  -0.392563D+01 -0.690728D+01  0.572956D+01 -0.155879D+02 -0.409068D+02
      6   0.695507D+01  0.117657D+02  0.250587D+00  0.158167D+02  0.291473D+02
               136           137           138           139           140 
      1   0.367868D+00 -0.909080D+01  0.774318D+00 -0.768042D+01 -0.165613D+02
      2   0.210186D+01  0.893426D+01 -0.285455D+01  0.269412D+01  0.305633D+02
      3  -0.246973D+01  0.156539D+00  0.208023D+01  0.498630D+01 -0.140020D+02
      4  -0.250144D+01 -0.386765D+01 -0.691563D+00  0.889496D+01 -0.280254D+02
      5   0.160551D+01  0.100747D+01 -0.455231D+01  0.199157D+01  0.112294D+02
      6  -0.140262D+01  0.529912D+00  0.339613D+01 -0.172309D+00 -0.309151D+01
               141           142           143           144           145 
      1   0.532332D+01  0.552815D+01  0.709187D+01 -0.955543D+01  0.939629D+02
      2  -0.123876D+02 -0.186033D+01 -0.167484D+02  0.995512D+01 -0.475965D+02
      3   0.706431D+01 -0.366781D+01  0.965650D+01 -0.399689D+00 -0.463664D+02
      4   0.920622D+01 -0.852359D+01  0.211882D+02 -0.813663D+01 -0.521203D+02
      5  -0.117300D+02 -0.146961D+01 -0.100247D+02  0.125424D+02 -0.392829D+02
      6   0.776713D+01  0.879821D+00  0.572855D+01 -0.648001D+01  0.106665D+02
               146           147           148           149           150 
      1  -0.185890D+02 -0.142297D+02 -0.931177D+01  0.796890D+01  0.107209D+01
      2   0.515075D+01  0.100100D+02  0.117736D+01 -0.115839D+01 -0.121417D+01
      3   0.134383D+02  0.421978D+01  0.813441D+01 -0.681051D+01  0.142081D+00
      4   0.258656D+02  0.110307D+02  0.167341D+02 -0.860290D+01 -0.918771D+00
      5   0.109463D+02  0.206875D+02  0.288082D+01 -0.225483D+01 -0.174682D+01
      6  -0.621005D+01 -0.642442D+01 -0.395004D+01  0.112475D+01  0.245299D+01
               151           152           153           154           155 
      1  -0.101548D+02  0.140626D+01  0.532462D+01  0.207866D+03  0.267085D+02
      2   0.775580D+01 -0.257773D+01 -0.517079D+01 -0.975483D+02 -0.945383D+01
      3   0.239899D+01  0.117147D+01 -0.153827D+00 -0.110318D+03 -0.172546D+02
      4   0.481882D+01 -0.603517D+00 -0.581764D+01  0.375030D+02  0.431028D+02
      5   0.163489D+02 -0.528419D+01 -0.987838D+01  0.412188D+02  0.871961D+01
      6  -0.424335D+01  0.316650D+01  0.362075D+01  0.868204D+00  0.444081D+01
               156           157           158           159           160 
      1   0.128927D+02  0.231334D+02  0.352154D+02  0.684300D+00  0.128270D+02
      2  -0.119315D+02 -0.606344D+01 -0.120273D+02 -0.682604D+00 -0.114473D+02
      3  -0.961217D+00 -0.170700D+02 -0.231881D+02 -0.169548D-02 -0.137973D+01
      4   0.654742D+01  0.516164D+02  0.259345D+02  0.562229D+01  0.525470D+01
      5   0.452016D+02  0.483363D+01  0.946332D+01  0.676881D+01  0.385793D+02
      6   0.175477D+01  0.987953D+01  0.373072D+01  0.598147D+01  0.218226D+01
               161           162           163           164           165 
      1   0.141691D+01  0.215123D+02  0.671251D+02  0.675843D+01  0.214999D+02
      2  -0.130973D+01 -0.152259D+02 -0.456656D+02 -0.272303D+01 -0.129236D+02
      3  -0.107177D+00 -0.628640D+01 -0.214595D+02 -0.403540D+01 -0.857629D+01
      4   0.268510D+01  0.594085D+01  0.835870D+01  0.685125D+01 -0.107581D+01
      5   0.659216D+01  0.117332D+02  0.406117D+02 -0.583396D+00  0.219459D+02
      6   0.460373D+01  0.189240D+01  0.392241D+01  0.586542D+00  0.771786D+00
               166           167           168           169           170 
      1   0.130638D+02 -0.117847D+02 -0.408622D-01 -0.929312D+01 -0.314904D+01
      2  -0.752448D+01  0.376089D+01  0.509064D+00  0.280551D+01  0.194115D+01
      3  -0.553928D+01  0.802378D+01 -0.468201D+00  0.648761D+01  0.120789D+01
      4   0.220799D+01 -0.226425D+01  0.103645D+02 -0.309408D+01  0.529439D+01
      5   0.445983D+01  0.929739D+01 -0.409715D+00  0.923538D+01 -0.998038D+00
      6   0.225057D+01  0.248739D+00  0.120000D+02 -0.235647D+01  0.110648D+02
               171           172           173           174           175 
      1  -0.387784D+02 -0.584384D+02 -0.226602D+01  0.265109D+01 -0.865815D+01
      2  -0.925622D+01  0.371650D+02  0.145723D+01  0.834123D+01  0.641839D+01
      3   0.480347D+02  0.212735D+02  0.808795D+00 -0.109923D+02  0.223976D+01
      4  -0.227408D+01 -0.422796D+01 -0.460936D+01  0.490613D+00  0.349197D+00
      5   0.382835D+02 -0.307909D+02  0.829501D+00 -0.200168D+02 -0.328825D+01
      6  -0.115834D+01 -0.326783D+01 -0.338491D+01  0.380343D-01 -0.620863D+00
               176           177           178           179           180 
      1  -0.412221D+01  0.662017D+00 -0.182805D+02 -0.948258D+00 -0.104422D+02
      2   0.227942D+01  0.123283D+01  0.170885D+02  0.985655D+00  0.627569D+01
      3   0.184279D+01 -0.189485D+01  0.119200D+01 -0.373963D-01  0.416646D+01
      4  -0.472355D+00  0.305095D+01 -0.172912D+01 -0.987742D+00 -0.123961D+00
      5   0.284749D+01 -0.288191D+01 -0.164202D+02  0.267486D+00 -0.604116D+01
      6  -0.102437D+01  0.304605D+01 -0.961048D+00  0.541705D+00 -0.110704D+01
               181           182           183           184           185 
      1  -0.379253D+01 -0.522956D+02  0.783557D+01  0.873873D+02  0.252853D+02
      2   0.507894D+01  0.363873D+02 -0.327282D+01 -0.604579D+02 -0.206539D+02
      3  -0.128642D+01  0.159082D+02 -0.456275D+01 -0.269294D+02 -0.463141D+01
      4  -0.190515D+02  0.441260D+02  0.340648D+01  0.222968D+02 -0.296190D+02
      5   0.115770D+02  0.430624D+01  0.151160D+02 -0.495656D+01  0.636020D+01
      6   0.527832D+01  0.109027D+01  0.107065D+02  0.392389D+01  0.455105D+01
               186           187           188           189           190 
      1  -0.905641D+01 -0.351262D+01  0.714086D+01  0.528726D+00  0.123677D+03
      2   0.719495D+01  0.681823D+01 -0.216752D+01 -0.846575D+01 -0.676858D+02
      3   0.186147D+01 -0.330561D+01 -0.497335D+01  0.793702D+01 -0.559908D+02
      4   0.367780D+01  0.736525D+01  0.287311D+01  0.177215D+02  0.941999D+01
      5   0.904661D+01  0.280809D+02  0.181106D+02 -0.731349D+01 -0.724343D+00
      6   0.238589D+01  0.155115D+02  0.962675D+01 -0.329219D+01  0.256970D+01
               191           192           193           194           195 
      1   0.268526D+02 -0.113285D+02 -0.200947D+02 -0.202771D+02  0.714439D+01
      2  -0.165064D+02  0.289009D+01  0.223932D+02  0.248597D+02 -0.813547D+01
      3  -0.103462D+02  0.843846D+01 -0.229854D+01 -0.458256D+01  0.991081D+00
      4   0.259506D+02 -0.383288D+01 -0.187383D+02  0.536404D+02 -0.324517D+01
      5  -0.512355D+01  0.319155D+01  0.769750D+01 -0.706436D+01 -0.606346D+00
      6   0.297575D+01 -0.415224D+01  0.117565D+01 -0.351065D+01 -0.394995D+01
               196           197           198           199           200 
      1  -0.184462D+00  0.231962D+01  0.254908D+02 -0.117238D+03 -0.914077D+01
      2  -0.172148D+00 -0.240648D+01 -0.226639D+02  0.519352D+02  0.425530D+01
      3   0.356610D+00  0.868624D-01 -0.282689D+01  0.653028D+02  0.488546D+01
      4   0.607183D+01 -0.793798D+01  0.930344D-01 -0.137769D+02 -0.303505D+02
      5   0.515801D+02  0.515921D+01 -0.622814D+01  0.138494D+02  0.188973D+01
      6  -0.123768D+01  0.412854D+01  0.305850D+01 -0.270294D+01  0.197399D+01
               201           202           203           204           205 
      1   0.952043D+01 -0.849115D+02 -0.980561D+01  0.573887D+01  0.212173D+02
      2  -0.436927D+01  0.543774D+02 -0.771532D+01 -0.197760D+01 -0.125588D+02
      3  -0.515116D+01  0.305341D+02  0.175209D+02 -0.376127D+01 -0.865848D+01
      4   0.149257D+01 -0.694088D+01 -0.159881D+02 -0.856637D+00 -0.626279D+00
      5   0.424907D+01  0.651282D+01  0.550423D+00 -0.995414D+01  0.288736D+01
      6   0.101916D+00 -0.378811D+01  0.403002D+01  0.600381D+01 -0.329007D+01
               206           207           208           209           210 
      1  -0.411690D+01 -0.205967D+02  0.167246D+02 -0.274916D+02  0.638823D+01
      2   0.616804D+01  0.346523D+01 -0.100781D+02  0.156201D+02  0.962508D+00
      3  -0.205114D+01  0.171314D+02 -0.664653D+01  0.118715D+02 -0.735074D+01
      4   0.176553D+01 -0.247474D+02 -0.219518D+02  0.105072D+02  0.437446D+01
      5  -0.264268D+02  0.101932D+02  0.694874D-01  0.436281D+01  0.282396D+02
      6   0.163006D+02 -0.621953D+00  0.823213D+00 -0.276815D+01  0.460237D+01
               211           212           213           214           215 
      1   0.999959D+01  0.180988D+02 -0.214073D+00 -0.196617D+00  0.750626D+00
      2  -0.101781D+02 -0.679595D+01  0.280547D+01  0.140579D+01 -0.176961D-01
      3   0.178476D+00 -0.113029D+02 -0.259140D+01 -0.120918D+01 -0.732930D+00
      4   0.468573D+02 -0.145979D+02 -0.177039D+01 -0.229583D+01 -0.407055D+00
      5  -0.199808D+01  0.769609D+00  0.999601D+01  0.114401D+02 -0.572149D+01
      6  -0.134203D+01  0.217954D+01  0.836477D+01 -0.349521D+01  0.451003D+01
               216           217           218           219           220 
      1   0.181925D+01 -0.553912D+02  0.483956D+02 -0.123584D+01  0.353380D+02
      2  -0.812068D+00  0.312377D+02 -0.262899D+02 -0.110943D+01 -0.159328D+02
      3  -0.100718D+01  0.241535D+02 -0.221057D+02  0.234526D+01 -0.194051D+02
      4  -0.681264D+01  0.464583D+02 -0.240244D+01 -0.132355D+02 -0.432291D+02
      5  -0.483304D+01 -0.719244D+00 -0.141128D+02 -0.916247D+01 -0.138038D+02
      6  -0.139543D+01 -0.595463D+01 -0.877221D+00 -0.152911D+01 -0.110559D+01
               221           222           223           224           225 
      1  -0.159233D+02 -0.191612D+02 -0.438491D+01 -0.161823D+02 -0.101968D+01
      2   0.752521D+01  0.485662D+00 -0.361892D+01  0.186118D+01  0.315224D+01
      3   0.839805D+01  0.186756D+02  0.800383D+01  0.143211D+02 -0.213255D+01
      4  -0.265193D+02 -0.908168D+01 -0.127783D+02 -0.101561D+02 -0.501092D+02
      5  -0.104062D+02 -0.753406D+02 -0.303260D+02 -0.520225D+02  0.236025D+02
      6  -0.120747D+01 -0.155251D+02 -0.127619D+02 -0.120554D+02  0.820425D+01
               226           227           228           229           230 
      1  -0.526451D+01  0.147702D+02 -0.520889D+00  0.550434D+01 -0.501116D+02
      2   0.632647D+01 -0.145187D+02  0.530508D+00 -0.462576D+01  0.620909D+02
      3  -0.106196D+01 -0.251495D+00 -0.961956D-02 -0.878584D+00 -0.119793D+02
      4   0.140184D+01  0.440979D+01 -0.804471D+00  0.326241D+01  0.194100D+02
      5   0.188666D+00 -0.115853D+01  0.116224D+01 -0.188430D+00  0.116391D+01
      6  -0.227941D+00 -0.300520D+00 -0.161650D+01  0.372408D+00 -0.298362D+01
               231           232           233           234           235 
      1   0.390550D+01  0.221837D+00  0.307754D+01 -0.196159D+01  0.402195D+02
      2  -0.383442D+01 -0.137761D+00 -0.407701D+01  0.225636D+01 -0.151430D+02
      3  -0.710754D-01 -0.840769D-01  0.999479D+00 -0.294771D+00 -0.250764D+02
      4  -0.124036D+01 -0.569675D+00 -0.245153D+01 -0.122797D+01  0.329039D+02
      5   0.204697D+01  0.171127D+01 -0.750768D+00 -0.136831D+00 -0.791388D+01
      6   0.763281D+01 -0.155813D+00  0.281628D+01 -0.824744D+00 -0.312029D+01
               236           237           238           239           240 
      1   0.128216D+02 -0.528909D+01  0.186330D+02  0.696103D+01 -0.187804D+01
      2  -0.248366D+00  0.218846D+01  0.134107D+01  0.111686D+02 -0.425061D+00
      3  -0.125732D+02  0.310063D+01 -0.199741D+02 -0.181296D+02  0.230310D+01
      4   0.259601D+02 -0.542541D+01  0.385496D+02  0.407349D+02 -0.699138D+01
      5  -0.392050D+01  0.480505D+01 -0.609469D+01 -0.469094D+01  0.658182D+01
      6  -0.247568D+01  0.252506D+01 -0.394673D+01 -0.452173D+01  0.527445D+01
               241           242           243           244           245 
      1  -0.735319D+01 -0.223959D+01 -0.648592D+00 -0.161068D+00 -0.594179D+01
      2   0.179053D+01 -0.798385D+00  0.104963D+01  0.533706D+01 -0.263828D+01
      3   0.556266D+01  0.303798D+01 -0.401040D+00 -0.517599D+01  0.858006D+01
      4  -0.820584D+01 -0.703392D+01  0.285461D+01 -0.197203D+02  0.215575D+02
      5  -0.549496D+00  0.171290D+01 -0.133008D+01  0.265235D+01 -0.141247D+01
      6  -0.444160D+00  0.188378D+01 -0.108481D+01 -0.872084D+00  0.665023D-01
               246           247           248           249           250 
      1   0.110331D+01 -0.368949D+01 -0.163865D+02  0.116311D+01  0.829319D+00
      2  -0.558291D+00 -0.853402D+01  0.339628D+02 -0.893794D+00 -0.102007D+00
      3  -0.545022D+00  0.122235D+02 -0.175763D+02 -0.269318D+00 -0.727312D+00
      4  -0.360652D+00  0.289730D+02 -0.549514D+02  0.309712D+01 -0.954524D+00
      5   0.318298D+01 -0.298497D+01  0.631005D+01 -0.678574D+01  0.215493D+01
      6  -0.188376D+01  0.163815D+01 -0.328452D+01  0.693239D+01 -0.251169D+01
               251           252           253           254           255 
      1   0.228850D+01 -0.141834D+01  0.241404D+00  0.140378D+01 -0.122590D+02
      2  -0.249144D+01  0.246143D+01 -0.120985D+01 -0.597857D+00  0.443612D+01
      3   0.202942D+00 -0.104309D+01  0.968444D+00 -0.805924D+00  0.782284D+01
      4   0.339958D+01 -0.172577D+01 -0.642247D+00 -0.821949D+00 -0.138166D+01
      5  -0.860155D+00  0.328895D+00 -0.932203D+01 -0.812526D+00 -0.127186D+01
      6   0.281277D+01 -0.838990D+00 -0.144815D+01  0.508208D+00 -0.134319D+01
               256           257           258           259           260 
      1   0.136877D+02  0.375871D+01 -0.143903D+01 -0.360795D+02 -0.107660D+01
      2  -0.840346D+01 -0.119868D+01  0.350126D+01  0.254670D+02  0.343821D+01
      3  -0.528429D+01 -0.256003D+01 -0.206223D+01  0.106125D+02 -0.236162D+01
      4   0.229143D+02  0.251422D+02 -0.207889D+02 -0.169987D+02 -0.217516D+02
      5  -0.165288D+02 -0.202817D+02  0.359607D+02  0.440473D+02  0.317327D+02
      6  -0.575901D+01 -0.849786D+01  0.121354D+02  0.100354D+02  0.116694D+02
               261           262           263           264           265 
      1   0.501389D+01  0.192285D+02  0.771872D+01  0.127703D+02  0.326050D+02
      2  -0.174658D+02 -0.842434D+01 -0.267170D+01 -0.616755D+01 -0.129711D+02
      3   0.124519D+02 -0.108041D+02 -0.504701D+01 -0.660271D+01 -0.196339D+02
      4   0.307472D+02  0.943866D+01  0.749065D+01  0.756688D+01  0.390625D+02
      5  -0.698505D+02  0.157091D+02  0.722695D+01  0.365972D+01  0.215515D+02
      6  -0.152774D+02  0.303796D+01  0.844587D+00 -0.268275D+00  0.560611D+01
               266           267           268           269           270 
      1   0.163231D+02  0.109095D+02  0.484670D+02  0.134398D+02  0.119798D+02
      2  -0.771591D+00 -0.154436D+01 -0.235520D+02 -0.341277D+01 -0.834813D+01
      3  -0.155516D+02 -0.936518D+01 -0.249150D+02 -0.100270D+02 -0.363163D+01
      4   0.425018D+02  0.239473D+02  0.282015D+02  0.299718D+02  0.290348D+02
      5   0.253265D+02  0.326440D+02  0.354807D+02  0.309073D+02  0.413279D+02
      6   0.668126D+01  0.834471D+01  0.903043D+01  0.875164D+01  0.814018D+01
               271           272           273           274           275 
      1   0.184291D+03 -0.329315D+02 -0.118990D+02 -0.755609D+02  0.258636D+02
      2  -0.966480D+02  0.174612D+02  0.751351D+01  0.392622D+02 -0.121092D+02
      3  -0.876429D+02  0.154703D+02  0.438548D+01  0.362987D+02 -0.137544D+02
      4  -0.369771D+02  0.206893D+02  0.384270D+01  0.332725D+02 -0.227129D+02
      5  -0.164811D+02  0.411639D+01  0.185630D+02  0.820544D+01 -0.173907D+01
      6   0.339106D+01 -0.154926D+01 -0.609298D+00 -0.270896D+01  0.198421D+01
               276           277           278           279 
      1   0.600439D+01 -0.760645D+01  0.286035D+01  0.150771D+02
      2  -0.346649D+01  0.560280D+01 -0.122607D+01 -0.927686D+01
      3  -0.253790D+01  0.200364D+01 -0.163427D+01 -0.580024D+01
      4  -0.171281D+01  0.328287D+01  0.333385D+00 -0.217505D+00
      5  -0.694585D+01  0.234287D+02 -0.712850D-01 -0.579280D+01
      6   0.207580D+01 -0.117123D+01  0.268634D+01 -0.350494D-02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252723D+01      0.642359D+01      0.214268D+02
   x         -0.230106D+01     -0.584870D+01     -0.195092D+02
   y         -0.798511D+00     -0.202961D+01     -0.677006D+01
   z         -0.674119D+00     -0.171344D+01     -0.571542D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183934D+03      0.272562D+02      0.303267D+02
   aniso      0.155575D+03      0.230538D+02      0.256509D+02
   xx         0.281299D+03      0.416842D+02      0.463799D+02
   yx         0.106827D+02      0.158302D+01      0.176135D+01
   yy         0.160190D+03      0.237378D+02      0.264118D+02
   zx        -0.141450D+02     -0.209608D+01     -0.233220D+01
   zy        -0.467207D+01     -0.692329D+00     -0.770320D+00
   zz         0.110313D+03      0.163467D+02      0.181882D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.206878D+03      0.306562D+02      0.341096D+02
   aniso      0.179881D+03      0.266556D+02      0.296583D+02
   xx         0.319707D+03      0.473757D+02      0.527126D+02
   yx         0.141902D+02      0.210277D+01      0.233964D+01
   yy         0.177896D+03      0.263614D+02      0.293311D+02
   zx        -0.159805D+02     -0.236807D+01     -0.263483D+01
   zy        -0.534954D+01     -0.792720D+00     -0.882020D+00
   zz         0.123031D+03      0.182313D+02      0.202851D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.12338185          0.49223693          1.51340259
     6         -0.57995573         -2.10973974          1.49072385
     6          1.38431657          1.53007588         -0.60768762
     6          1.95138584          0.09165340         -2.69432204
     6          1.23879477         -2.49722436         -2.69400009
     6          0.02398726         -3.56186321         -0.68108160
     6         -0.46443182          1.94118218          3.67091306
     1          1.91688099          3.50406373         -0.53294683
     1          1.67820694         -3.63806347         -4.33636436
     1         -0.49392286         -5.54132006         -0.71992624
     6          3.20144364          1.16064163         -5.03218395
     6          4.86113506          3.49582807         -4.57506785
     6          1.30251913          1.82436108         -7.12837068
     1          4.39081065         -0.30670149         -5.86001094
     1          6.28716123          3.08905332         -3.14511231
     1          3.75084012          5.11317076         -3.94213027
     1          5.80306841          4.02667291         -6.32539185
     8          1.87455865          1.91154635         -9.31794983
     8         -1.06105881          2.41992648         -6.37312913
     1         -1.21435168          2.13615832         -4.56731732
     6         -1.68567915          0.90070802          5.70821738
     6         -2.37983872         -1.67912340          5.67349191
     6         -1.82876361         -3.14666237          3.59433155
     8         -3.59170753         -2.84492255          7.61544577
     6         -4.20423909         -1.42127325          9.80196737
     1          0.06311902          3.91859474          3.71059454
     1         -2.10780076          2.06561684          7.32877963
     1         -2.37251671         -5.11802203          3.60095123
     1         -5.48286378          0.13961957          9.35512387
     1         -2.50865707         -0.67879856         10.72108153
     1         -5.14867220         -2.72722381         11.07573807

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252723D+01      0.642359D+01      0.214268D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.252723D+01      0.642359D+01      0.214268D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183934D+03      0.272562D+02      0.303267D+02
   aniso      0.155575D+03      0.230538D+02      0.256509D+02
   xx         0.138594D+03      0.205376D+02      0.228511D+02
   yx         0.176987D+02      0.262268D+01      0.291813D+01
   yy         0.157677D+03      0.233654D+02      0.259975D+02
   zx        -0.612247D+02     -0.907256D+01     -0.100946D+02
   zy        -0.840107D+01     -0.124491D+01     -0.138515D+01
   zz         0.255531D+03      0.378657D+02      0.421313D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.206878D+03      0.306562D+02      0.341096D+02
   aniso      0.179881D+03      0.266556D+02      0.296583D+02
   xx         0.154961D+03      0.229629D+02      0.255497D+02
   yx         0.191204D+02      0.283336D+01      0.315253D+01
   yy         0.174616D+03      0.258754D+02      0.287903D+02
   zx        -0.701958D+02     -0.104019D+02     -0.115737D+02
   zy        -0.903113D+01     -0.133827D+01     -0.148903D+01
   zz         0.291057D+03      0.431301D+02      0.479888D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U22-33\Freq\RLC-PBEPBE\Gen\C14H14O3\PIERPA\17-Aug-2021\0\
 \#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight)
  Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=02300000
 00,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-
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 I DON'T PRETEND TO UNDERSTAND THE UNIVERSE --
 IT'S A GREAT DEAL BIGGER THAN I AM.
       -- ATTR. TO WILLIAM ALLINGHAM (1828-89)
 Job cpu time:       0 days 23 hours 47 minutes 44.8 seconds.
 Elapsed time:       0 days  2 hours 58 minutes 55.3 seconds.
 File lengths (MBytes):  RWF=    750 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Tue Aug 17 00:27:38 2021.
